Isolated Iridium Sites on Potassium-Doped Carbon-nitride wrapped Tellurium Nanostructures for Enhanced Glycerol Photooxidation

Supporting Information
for Adv. Funct. Mater., DOI 10.1002/adfm.202313793
Isolated Iridium Sites on Potassium-Doped Carbon-nitride wrapped Tellurium
Nanostructures for Enhanced Glycerol Photooxidation
Pawan Kumar, Abdelrahman Askar, Jiu Wang, Soumyabrata Roy, Srinivasu Kancharlapalli,
Xiyang Wang, Varad Joshi, Hangtian Hu, Karthick Kannimuthu, Dhwanil Trivedi, Praveen Bollini,
Yimin A. Wu, Pulickel M. Ajayan, Michael M. Adachi*, Jinguang Hu* and Md Golam Kibria*

S1
Electronic supporting information (ESI)
on
Isolated Iridium Sites on Potassium-Doped Carbon-nitride wrapped
Tellurium Nanostructures for Enhanced Glycerol Photooxidation
Pawan Kumar,1†
Abdelrahman Askar,2
Jiu Wang,1†
Soumyabrata Roy,3
Srinivasu
Kancharlapalli,4
Xiyang Wang,5
Varad Joshi,6
Praveen Bollini,6
Hangtian Hu,1
Karthick
Kannimuthu,1
Dhwanil Trivedi,1
Yimin A. Wu,5
Pulickel M. Ajayan,3
Michael M. Adachi2
*
Jinguang Hu,1
* Md Golam Kibria1
*
1
Department of Chemical and Petroleum Engineering, University of Calgary, 2500 University
Drive, NW Calgary, Alberta, Canada
2
School of Engineering Science, Simon Fraser University, Burnaby, V5A 1S6, BC, Canada
3
Department of Materials Science and Nanoengineering, Rice University, Houston, Texas 77005,
United States
4
Theoretical Chemistry Section, Chemistry Division, Bhabha Atomic Research Centre, Trombay,
Mumbai 400085, India
Homi Bhabha National Institute, Anushaktinagar, Mumbai 400094, India
5
Department of Mechanical and Mechatronics Engineering, Waterloo Institute for
Nanotechnology, Materials Interface Foundry, University of Waterloo, Waterloo, Ontario N2L
3G1, Canada
6
William A. Brookshire Department of Chemical and Biomolecular Engineering, University of
Houston, Houston, Texas 77204, United States
*Email: Michael M. Adachi (mmadachi@sfu.ca); Jinguang Hu (jinguang.hu@ucalgary.ca); Md.
Golam Kibria (md.kibria@ucalgary.ca)
†Contributed equally

S2
Contents
1.0 Experimental section…………………………………………………...…………….Page S3
1.1. Reagent and Materials …………………………………………..……………………...…....Page S3
1.2. Physico-chemical characterization ……………………………………………..…………..Page S3
2.0 Synthesis of materials
2.1 Synthesis of K-doped-NCN functionalized carbon nitride (KCN)………......……...…..Page S11
2.2 Synthesis of TeNRs/TeNSs mixture. ………………………………………………….....….Page S11
2.4 Synthesis of KCN-wrapped Te NRs/NSs (TeKCN5 and TeKCN10)…………......……..Page S12
2.5 Synthesis of IrSA decorated TeKCN (TeKCNIr)………………..…………..………….…Page S12
2.3 Synthesis of KCN decorated Ir SAs (KCNIr)……………..………………………,,...……Page S13
2.6 Synthesis of Ir single atom decorated CN (CNIr)………….…………………….….……Page S13
2.7 Synthesis of TeKCNIrP…………………………………………………….……….……..…Page S13
2.8 Synthesis of CN……………………………………………..……………….…………….…..Page S13
3.0 Photoelectrochemical studies……………………………………...……………..…Page S15
4.0 Photocatalytic performance evaluation …………………………………………...Page S15
4.1 Photocatalytic hydrogen evolution ……………………………….…………….……….…Page S16
4.2 Selective oxidation of glycerol to glyceraldehyde …………………….……………..…..Page S16
Figures
Figure S1. Synthesis scheme of KCNIr, CNIr and TeKCNIrP………….……………….Page S14
Figure S2. Synthesis scheme of CN……………....………………………………..….....Page S15
Figure S3. HR-TEM images and SAED pattern of CN..…………………………….…..Page S19
Figure S4. HR-TEM images, SAED and elemental mapping of KCN…………......……Page S20
Figure S5. TEM images, SAED pattern and elemental mapping of TeKCN…....………Page S21
Figure S6. HR-TEM images, SAED and elelemtal mapping of TeKCN NRs...…...……Page S22
Figure S7. HAADF-STEM, elemental mapping and EDX of TeKCN NSs…..…....……Page S23
Figure S8. EELS spectra of TeKCNIr showing various elements edges……..….........…Page S24
Figure S9. HR-TEM images, SAED and elemental mapping of KCNIr………..…..…...Page S25
Figure S10. AC-HAADF STEM images and EELS spectra of KCNIr……………….…Page S26
Figure S11. HR-TEM images and SAED pattern of TeKCNIrP…………….………..…Page S27
Figure S12. AC-HAADF STEM images and EELS map of TeKCNIrP……….……..…Page S28
Figure S13. FTIR, Raman, XRD of various catalysts components……….…………..…Page S29
Figure S14. Synchrotron-based WAXS of CN, CNIr and TeKCN10…………….......…Page S30
Figure S15. XPS survey scan and HR-XPS of CN………………………………………Page S31
Figure S16. XPS survey scan of KCN, TeKCN, TeKCNIr, TeKCNIrP…………………Page S32
Figure S17. HR-XPS of KCN……………………………………………………………Page S33
Figure S18. HR-XPS of TeKCN…………………………………………………………Page S34
Figure S19. HR-XPS of KCNIr..……………………………………………...…….…...Page S35
Figure S20. HR-XPS of TeKCNIr………………………………………...…….…….…Page S36
Figure S21. HR-XPS of TeKCNIrP……………………………………………….…..…Page S37
Figure S22. EXAFS spectrum of TeKCNIrP…………………………………………….Page S38
Figure S23. DFT models of various structure show Ir-O/Ir-N bond length…………......Page S39
Figure S24. EIS Nyquist plot of CN, KCN and TeKCNIr .……………..…………….…Page S40
Figure S25. HPLC chromatogram of glycerol oxidation product…………...…………...Page S41
Figure S26. HPLC chromatogram of standard solution and reaction products………….Page S42

S3
Figure S27. NMR spectra of reaction products………………………………..…………Page S43
Figure S28. Digital photograph of the reactor used for glycerol under pressurized O2….Page S44
Figure S29. Glycerol oxidation to glyceraldehyde under pressurized O2………….…….Page S45
Figure S30. CO2-TPD and pyridine TPD of CN, KCN, TeKCN10 and TeKCNIr…..….Page S46
Figure S31. DTBP TPD spectra of CN, KCN, TeKCN10 and TeKCNIr……...……..….Page S47
Figure S32. Active sites count for the CN, KCN, TeKCN10 and TeKCNIr……….……Page S48
Figure S33. Tauc plot demonstrating the band gap of different materials……………….Page S49
Figure S34. Mott-Schottky plot for KCN, Te, TeKCN and TeKCNIr……………...…...Page S50
Figure S35. UPS WF spectra of CN, KCN, TeKCN, TeKCNIr……………………...….Page S51
Figure S36. XPS valence band spectra of CN, KCN, TeKCN, TeKCNIr……..…..…….Page S52
Figure S37. Band structure of Te, CN and KCN…………………………………..…….Page S53
Figure S38. Optimized geometries of CN and Te (001) supercell……...………………..Page S53
Figure S39. Optimized geometries and charge density difference iso-surface of TeCN...Page S54
Figure S40. Fermi energy corrected vacuum potential against the distance…….….……Page S54
Tables
Table S1. EXAFS fitting parameters………………………………...……………..…….Page S38
Table S2. DFT calculated bond length and CN for CNIr and KCNIr models………...…Page S40
Table S3. TRPL fitting parameters and average life time………………………..………Page S40
Table S4. EIS fitting parameters and determined components…………………..…...….Page S41
Table S5. Comparison of catalysts performance with existing literature…...……….…..Page S55
1.0 EXPERIMENTAL
1.1 Reagent and Materials
Dicyandiamide (99%), Potassium thiocyanate (99%), Melamine (99%), Iridium trichloride
hydrate (IrCl3.xH2O) (≥99.9% trace metals basis), KOH (90%, flakes), Sodium sulfate (≥99.0%),
Glycerol (≥99.5%), glyceraldehyde (95%) were purchased from Millipore Sigma. HPLC-grade
water and organic solvents were used throughout the experiments without any further
purification.
1.2 Physico-chemical Characterization
1.2.1 High resolution transmission electron microscopy (HR-TEM)
The nanoscopic morphological characteristics of materials were determined using high-
resolution transmission electron microscopy (HR-TEM) acquired on an 8000-TEM Hitachi. A

S4
thermal LaB6 electron source with an operating voltage of 200 keV was used for the
measurement. The samples for TEM were prepared by dispersing materials in an aqueous
solution using sonication for 15 min. A very diluted aqueous dispersion of the catalyst was
deposited on carbon-coated copper TEM grid. The STEM elemental mapping of materials was
also performed in low magnification mode.
To evaluate the ultrafine structure, lattice spacing and stacking pattern, HR-TEM images were
obtained by HRTEM TITAN 60-300 with an X-FEG type emission gun, operating at 80 keV.
The microscope was equipped with a Cs image corrector and a STEM high-angle annular dark-
field detector (HAADF) which allows a point resolution is 0.06 nm in TEM mode. The chemical
composition of materials and their relative distribution in the materials were obtained by STEM-
energy dispersive X-ray spectroscopy (EDS). The STEM EDS images were acquired with an
acquisition time of 15 min. The acquired TEM images were processed using Gatan Digital
Micrograph 3.5 to calculate the d-spacing and fast Fourier transform (FFT), and inverse FFT
(iFFT).
1.2.2 Aberration-corrected high-angle annular dark field-scanning transmission electron
microscopy (AC-HAADF-STEM)
Aberration-corrected high-angle annular dark-field STEM (AC-HAADF-STEM) was utilized to
identify high contrast (Z-contrast) Ir single atom sites in the materials. The AC-HAADF-STEM
images of the materials were captured using an FEI Titan 80-300 HB TEM/STEM operating at
200 keV (XFEG source). The electronic TEM/STEM images in .emi format were processed in
TIA (TEM Imaging & Analysis) software and converted to .dm4 files.
1.2.3 Electron energy loss spectroscopy (EELS)

S5
Electron energy loss spectroscopy (EELS) was employed to investigate the chemical and
electronic structure of the materials recorded on a double aberration-corrected FEI Titan 80-300
HB TEM/STEM armed with EELS spectroscopic accessories. The inner shell ionization edge
(core loss) of the materials was determined by measuring the energy loss of scattered electrons to
deduce the nature of the bonding and coordination environment. EELS map was acquired by
scanning the materials for 5 min and obtained annular dark field (ADF) electron image was used
to accumulate the EELS spectra. The energy loss edge was calibrated and the acquired ADF
images and EELS spectra were processed using a Gatan digital micrograph.
1.2.4 Fourier transform infrared (FT-IR) spectroscopy
Chemical bond-specific vibrational features of the materials were determined using Fourier
transform infrared (FT-IR) spectroscopy on a Perkin Elmer Frontier FT-IR spectrophotometer. A
ZnSe ATR accessory was used for the measurement, where a powder sample deposited on ZnSe
crystal was pressed with a torque knob and measurement was performed in ATR mode. The final
spectra were obtained by the accumulation of 32 scans followed by averaging in the frequency
range of 400–4000 cm-1
.
1.2.5 Raman spectroscopy
Raman spectroscopy was employed to investigate the Raman active vibrations originating from
changes in the molecular polarization of functional groups. A Thermo Scientific DXR2 Raman
Microscope equipped with a 532 nm laser at an incident power density of 5 mW cm−2
was used
for the measurement of scattering frequencies.
1.2.6 X-ray diffraction (XRD)
The crystalline nature and stacking properties of CN-based materials and Te/CN hybrids were
determined using powder X-ray diffraction (XRD) recorded on a Bruker D8 Discover

S6
instrument. Cu-Kα X-ray radiation (40 kV, λ = 0.15418 nm) and a LynxEYE 1-dimensional
detector were used for the measurement. The XRD measurements were performed in the 2θ
range of 4–60° while keeping a scan size of 0.02°.
1.2.7 UV-Vis spectra
The absorption profile of the materials in the UV-Vis range was determined in diffuse
reflectance mode using a Perkin Elmer Lambda-1050 UV–Vis-NIR spectrophotometer equipped
with an integrating sphere accessory.
1.2.8 CO2, Pyridine and DTBP (2,6-di-tert-butylpyridine) Temperature programmed
desorption (TPD)
Probe molecule titration was performed by TPD (Temperature Programmed Desorption)
technique, and its profiles were obtained by first pre-treating a known amount of fresh sample
(100 – 150 mg) supported on glass frit inside a 10 mm id quartz tube under Argon (Ar, >99.99 %
Matheson Gas) at 120 °C for 2 h to desorb any physisorbed H2O and other molecules like N2 or
O2 then under Ar flow it is cooled back to room temperature.
For titration of basic sites, the probe molecule chosen was CO2 (CO2, >99.999 % Matheson Gas).
A stream containing 4% vol. CO2/Ar mixture was introduced over the previously dried sample at
room temperature to adsorb the CO2 for 2 h (till an equilibrated signal for CO2 and Ar was
observed. Afterward, the sample was flushed with Ar for 3-4 h to desorb any physiosorbed CO2
(till the CO2 signal went back to its baseline value). Now, under Ar flow the temperature of the
sample was slowly raised using Applied Test System (ATS) furnace, and the temperature was
measured using a K-Type thermocouple positioned just inside the quartz tube touching the

S7
sample at the rate of 5 °C/min to 500 °C and the CO2 signal (m/z = 44) was monitored using a
pre-calibrated MKS Cirrus 3.0 mass spectrometer with Argon as the internal standard.
For Acid site titration, Pyridine (C5H5N, 99+% Thermo Fischer Scientific Chemicals Inc.) was
used as a probe molecule. Being a slightly stronger base, it titrates both Lewis and Brønsted acid
sites giving a total acidic site count. Pyridine was introduced using a Hamilton Gastight liquid
injection syringe equipped with a KD Scientific Syringe Pump and was vaporized by the heating
tapes surrounding the liquid inlet line maintained at around 130 °C along with Ar stream making
a 2 mol% Pyridine/Ar mixture over a pre-dried sample at room temperature. With a similar
procedure as above, the sample was flushed at room temperature to desorb any loosely bound
Pyridine with Ar followed by Pyridine TPD monitoring its signal (m/z = 79).
To get an idea of the Brønsted Acid sites, a selective titrant molecule called 2,6-Di-tert-
butylpyridine (DTBP, > 97% Sigma Aldrich) was chosen as it is well known in the literature to
only bind to the Brønsted acid sites and not Lewis Acid sites due to its two bulky tert. butyl
groups which shield the lone pair on the nitrogen of the pyridine ring (steric hindrance). For
easier injection of DTBP having a high boiling point (265 °C), it was diluted to a 5 mol %
mixture of DTBP in n-Octane (Octane, anhydrous, 99% Sigma Aldrich). The rest of the
procedure remained the same as Pyridine TPD and the DTBP signal (m/z = 176) was monitored.
The area under the different peaks observed in the TPD curves normalized by the mass of the
sample used gave the value of Basic, Total Acid, and Brønsted acid Sites in the main sample and
three control samples. The difference between the Total Acid sites and the Brønsted acid site is
the Lewis Acid count.

S8
1.2.9 Steady-state photoluminescence (PL)
The steady-state photoluminescence (PL) spectra of materials were acquired on a Varian Cary
Eclipse fluorimeter Xe lamp excitation source and a slit width of 5 nm. The excitation
wavelength was kept at 370 nm and emission in the range of 400 to 650 nm was measured.
1.2.10 X-ray photoelectron spectroscopy (XPS)
The surface/subsurface chemical composition of materials limited to ~10 nm depth, nature of
chemicals bonding, and respective binding energies were investigated using X-ray photoelectron
spectroscopy (XPS) on Axis Ultra DLD, Kratos Analytical instrument. An Al-Kα X-ray
radiation source (photon energy ≈1486.7 eV) operating at a voltage of 15 kV, current-10 mA,
and power-50 W was used for the measurement. The X-rays were monochromatized by Rowland
circle with an ultrahigh vacuum (∼10−9
Torr). The instrument was calibrated using binding
energy (BE) of metallic Au 4f7/2 line at 83.96 eV and instrument work function was subtracted
from the total energy. The charging effect-induced binding energy shifts were corrected using
C1s binding energy of adventitious carbons at ≈ 284.8 eV (Carbon correction). The binding
energies of all other elements were referenced with respect to the C1s peak. To minimize the
charging effect samples were deposited on conductive FTO grass by making a slurry. The
acquired data in .vms format were deconvoluted using CasaXPS (2.3.23PR1.0) software. The
XPS data were collected at a magic angle (~54.7º) and a baseline was created using the Shirley
baseline function. The peaks were deconvoluted using a Lorentzian asymmetric (LA)/Gaussian-
Lorentzian (GL) function.[1]
The relative sensitivity factors (RSF) of elements provided in
CasaXPS software were used for the calculation of elemental composition. XPS valence band
(XPS-VB) spectra were also acquired at a low energy end to obtain the valence band position
below the Fermi level.

S9
1.2.11 Ultraviolet photoemission spectroscopy (UPS)
The band structure of materials with respect to vacuum level (Evac) was calculated using
ultraviolet photoemission spectroscopy (UPS) to determine the work function (ϕ) and Fermi
level alignment (Ef). A 21.21 eV He lamp is an excitation source to determine the WF of
materials. The value WF was determined by subtracting the energy of emitted secondary
electrons (Ecut-off) from the incident energy of UV energy (WF (ϕ) = 21.21−Ecut-off). The inflection
point obtained by extrapolation of the linear region in WF spectra was used to calculate the cut-
off energy.
1.2.12 soft X-ray absorption spectroscopy (sXAS)
The coordination pattern and electronic structure of materials were probed using synchrotron-
based soft X-ray absorption spectroscopy (sXAS) acquired on Canadian Light Source (CLS)
spherical grating monochromator (SGM) beamline (CLS port 11ID-1). The SGM beamline
operating energy range was 250-2000 eV
(https://www.lightsource.ca/facilities/beamlines/cls/beamlines/sgm.php#SpectralRange). To
perform the measurement, powdered samples were deposited on a hollow sample holder and
pressed to affix the samples to the socket. The sample holder was mounted in a vacuum chamber
(~10-6
Torr) and positioned at 45º w.r.t. to the X-ray beam and detector. The measurements were
performed by exposing samples with monochromatic soft X-rays with a spot size of 50- and 100-
microns maintained with a Kirkpatrick-Baez mirror system. An Amptek silicon drift detector
(SDDs) having an energy resolution of ~100 eV was used for the energy-dependent
quantification of emitted photons. The obtained partial fluorescence yield (PFY) was reported as
a function of photon energy. Before measurement, samples were scanned in the energy range of
250 to 2000 eV (ΔE ~5 eV) to perform Excitation-Emission Matrix Spectroscopy (EEMS)
measurements. EEMS scan provides information about each element present in the sample and
elements of interest were scanned. The final EEMS map was accumulated by averaging 10 scans
with an exposure time of 1 minute. After each measurement, the samples are moved 0.1 mm to
prevent any radiation damage. The C K, N K and Te L-edge near edge x-ray absorption fine
structure (NEXAFS) spectra were obtained in an energy window of 100 eV. The acquired data

S10
was processed in SGM Beamline’s online laboratory acquisitions and analysis system to derive
the final EEMS map and NEXAFS spectra.
1.2.13 X-ray absorption near edge structure (XANES) and Extended X-ray absorption fine
structure (EXAFS)
X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure
(EXAFS) were employed to determine the Iridium coordination pattern, oxidation state and
chemical bonding in the materials. The Canadian light source’s 06ID-1 Hard X-ray
MicroAnalysis (HXMA) beamline operating in the energy range of 5-40 KeV with a
superconducting Wiggler source and photon flux of 1012
@12 keV was used for the
measurement. For the measurement, a thin layer of materials was deposited on Kapton® tape and
attached to a hollow plastic holder. The plastic sample holder was secured on a sample socket
and irradiated with hard X-rays. The X-ray beam spot size was kept at 0.8 mm x 1.5 mm and the
spectral resolution was 1x10-4
. To calibrate the X-ray energies a standard sample with one
atomic number less than Ir was used as a standard. All the measurements were performed in
transmittance mode. The obtained raw data were processed using Athena software.
1.2.14 Synchrotron-based wide-angle X-ray scattering (WAXS)
To know the sub-nanometric crystalline properties synchrotron-based wide-angle X-ray
scattering (WAXS) measurements were recorded on a 04ID-1 BXDS-WLE Low Energy Wiggler
Beamline at a Canadian light source. The specifications of the BXDS/WLE beamline are as
follows: energy range - 7-22 keV, photon flux intensity - 1 x 1012
to 5 x 1012
photons/s, ring
current - 250 mA. Other parameters were as follows: resolution: ΔE/E, Si (111): 2.8 × 10-4
at 7.1
keV to 6.4 × 10-4
at 15.9 keV. Si (311): 2.5 × 10-4
at 12.9 keV to 4.5 × 10-4
at 22.5 keV, photon
energy: 15116 eV (λ = 0.8202 Å) using Si(111) and default detector: Dectris Mythen2 X series
1K. The X-ray spot size was 150 μm x 500 μm. The grounded samples were deposited on a glass
slide and mounted on a multiple-sample holder. The multiple sample holders can be moved
horizontally and vertically to position samples under the beam. The X-ray wavelength was
0.8202 nm (15116 keV) while the detector distance was ~170 mm. A standard LaB6 sample was
used as a calibration material and obtained Q-1
values were compared with the reported value.
The Q-1
values, d-spacing and other parameters of the standard LaB6 sample are also available on

S11
the CLS site: https://brockhouse.lightsource.ca/about/low-energy-wiggler-beamline.[2]
The
acquired .xye files were processed in GSAS-II software to generate a 2D map and calculate the
Q-1
value and d-spacing.
1.2.15 Computational Results
Periodic density functional theory (DFT) studies were carried out using the Vienna ab initio
simulation package (VASP)[3]
to understanding the structure and catalytic activity of the catalyst.
Core-valence electronic interactions were treated through the Projector augmented wave (PAW)
potentials.[4]
Perdew-Burke-Ernzerhof (PBE) exchange-correlation energy density functional
with Grimme’s D3 semiempirical method (PBE-D3) was used.[5]
Valence electron wave
functions were expanded using the Plane-wave basis-sets with a kinetic energy cut-off of 520
eV. Position of all the atoms and unit cell were relaxed under constant volume constraint with a
force cutoff of 0.005 eV/Å. All the reported structures were generated using VESTA packages.[6]
Binding energies (E) of different intermediates with the surface were measured as
E (x) = E(s-x)-[E(s)+E(x)]
where E(s-x), E(s) and E(x) represent energies of adsorbate(x) bound surface, free surface and
adsorbate respectively. Energies of all the molecular systems were calculated by optimizing the
molecular structure in a large cubic cell of 20 Å lengths.
2.0 Synthesis of materials
2.1 Synthesis of K doped/NCN-functionalized carbon nitride (KCN)
The potassium doped and NCN functionalized carbon nitride was synthesized by thermal
annealing of dicyandiamide (DCDA) and potassium thiocyanate (KSCN). In brief, 5g DCDA
and 1g KSCN were ground well using a mortar pestle. The resulting mixture was transferred to

S12
an alumina crucible and covered with a loose cap. The crucible was heated up to 550 ºC at a
heating rate of 5 °C min-1
and held on at this temperature for 2 h. The obtained solid was ground
well and used for further experiments.
2.2 Synthesis of Te NRs/Te NSs Mixture (Te NRs/NSs).[7]
The 1D Te NRs and 2D Te NSs mixture were formed by the reduction of Na2TeO3 with
hydrazine (NH2NH2) in the presence of polyvinylpyrrolidone (PVP) as a crystal face-blocking
ligand.[7]
In brief, Na2TeO3 (0.45 mmol) and a certain amount of PVP were dissolved in 33 mL
DI water to form a homogeneous solution. The resulting solution was transferred to a Tefon-
lined stainless-steel autoclave and ammonia solution (25%, wt/wt%) and hydrazine hydrate
(80%, wt/wt%) were added. The autoclave content was heated in an oven at 180 ºC. After
cooling the TeNRs/NSs mixture was centrifuged and used for further experiments.
2.3 Synthesis of KCN-wrapped Te nanorods/nanosheets (TeKCN5, TeKCN10 and
TeKCN15)
For the synthesis of KCN-wrapped Te nanorods/nanosheets, KCN was dispersed in EtOH
followed by the addition of 5, 10 and 15 wt% Te NRs/NSs respectively. An immediate color
change and wrapping were observed due to electrostatic interaction between positively charged
PVP containing Te NSs/NRs and negatively charged KCN sheets. The resulting suspension was
stirred for 1h and centrifuged and washed with EtOH. The resulting solid was vacuum dried at
70 ºC and denoted as TeKCN5 and TeKCN10.
2.4 Synthesis of IrSA decorated TeKCN (TeKCNIr)[8]
The Ir single atom catalyst was tethered to KCN by hydrolysis decomposition of IrCl3.xH2O. In
brief, 250 mg of TeKCN was suspended in DI water via ultrasonication for 5 min. A separate

S13
solution of IrCl3.xH2O (0.1 gIr/mL) was prepared followed by transferring 30 μL of this solution
to 50 mL of DI water. The obtained solution was added dropwise to TeKCN suspension with
vigorous stirring. After dropping the entire solution, the resulting solution was kept under stirring
for 6h to ensure complete reductive deposition of Ir sites. The resulting suspension was
centrifuged, and solid mass was washed with water and ethanol followed by drying under a
vacuum oven at 70 ºC.
2.5 Synthesis of KCN decorated IrSA (KCNIr)
The Ir single atom sites were deposited on KCN catalysts by hydrolysis decomposition of
IrCl3.xH2O as used for TeKCNIr in section 2.4 (Figure S1).
2.6 Synthesis of Ir single atom decorated carbon nitride (CNIr)
The IrSA decorated carbon nitride (CNIr) was synthesized by following the same protocol as
mentioned in section 2.5 except using CN instead of KCN.
2.7 Synthesis of Ir SA sites deposited TeKCN in polar solvent (TeKCNIrP)
For the synthesis of TeKCNIrP, firstly KCN and Te were mixed with stirring as mentioned in
section 2.4 except using DMF for dispersion of KCN and Te NRs/NSs (Figure S1). In brief, a
calculated amount of KCN was dispersed in 50 mL DMF by sonication for 30 min followed by
the addition of Te solution. To the resulting suspension, an aqueous solution of IrCl3.xH2O (30
μL of 0.1 gIr/mL IrCl3.xH2O solution diluted to 50 mL) was dropped and stirred for 6 h. The
obtained suspension was centrifuged and dried under a vacuum at 70 ºC.
2.8 Synthesis of graphitic carbon nitride (g-C3N4: CN)[9]

S14
Thermal polycondensation of dicyandiamide (5g) at 550 ºC with a heating rate of 5 °C min-1
up
to 2h hold time yielded a yellow solid of carbon nitride (Figure S2). The obtained solid was
crushed well and used for subsequent experiments.
Figure S1. Synthesis scheme for the (a) KCNIr and (b) CNIr (c) TeKCNIrP

S15
Figure S2. Synthesis scheme of carbon nitride (CN) by thermal annealing of dicyandiamide.
3.0 Photoelectrochemical studies
The visible light responsive charge generation performance of the materials was determined by
photoelectrochemical (PEC) current density measurement. A three-electrode set-up consisting of
FTO deposited materials as an anode, Pt as a counter electrode and Ag/AgCl reference electrode
was used for the PEC measurements. On FTO glass a 10 nm thick TiO2 blocking layer was
deposited by following the literature procedure followed by deposition of materials dispersed in
alfa-terpineol and DMF at 150 ºC.[10]
The fabricated electrode was immersed in 0.1M Na2SO4
electrolyte followed by irradiation of photoanode under AM1.5 G solar simulated irradiation
(HAL-320 Solar Simulator, Class A, 300 W Xe lamp; power density of 100 mW cm-2
) at the
surface of the sample. The photocurrent density of materials as a function of time (J-t) was
determined at an applied potential of +0.6 V vs Ag/AgCl (1.23 V vs NHE; water oxidation
potential). The light was chopped at a certain interval to record the photo response during the
light on-off cycle. The experimental flat band potential (Efb) of materials was determined by
Mott-Schottky measurement using impedance-potential values measure in 0.5 M Na2SO4 and

S16
potential range of –1.0 to +1.0 V at 1 K frequency. To understand semiconductor-electrolyte
interfacial interaction, electrochemical impedance spectroscopy (EIS) to plot Nyquist plot was
performed at an applied bias of –0.5 V vs Ag/AgCl and AC amplitude of -5 mV at a frequency of
100 kHz. Mott–Schottky plot was obtained by Impedance-potential measurement for the
calculation of flat band potential. The measurement was performed in 0.5 M Na2SO4 in a
potential window of –1 V to +1 V at 1K frequency.
4.0 Photocatalytic performance evaluation
4.1 Hydrogen evolution
The photocatalytic performance of pristine and composite materials was determined for water
splitting reaction to generate hydrogen. For the pure water splitting, a 30 mL borosil® glass vial
was charged with 10 mg of catalysts and 10 mL HPLC grade water. The obtained suspension
was sonicated for 10 min followed by sealing the vial with an aluminum Crimp Cap with PTFE
septum. After that, the reaction mixture was purged with nitrogen for 20 min to remove any
residual and dissolved oxygen. The reaction vessel was irradiated under AM1.5 G solar
simulated irradiation while keeping the power density of 100 mW cm-2
at the surface of the vial.
After 6 h irradiation the 1 mL gaseous product was withdrawn from the vial using a gas-tight
syringe. The product was analyzed using gas chromatography (GC) equipped with a Molsieve
column and TCD/FID detector and the obtained peak area was calculated to μmol scale using a
standard gaseous mixture calibration curve. Further experiments were carried out using 10 mL
water:triethanolamine (TEOA) (9:1) solution.

S17
4.2 Selective oxidation of glycerol to glyceraldehyde
The selective oxidation of glycerol to glyceraldehyde was performed under simulated solar light
irradiation in aqueous conditions. In brief, a glycerol solution with a concentration of 2 g/L in 10
mL deionized water was prepared in a glass vial (volume of 20 mL). To this solution, 10 mg of
catalysts was added and sonicated for 5 min to well disperse catalysts. The vial containing the
reaction mixture was sealed with an aluminum Crimp Cap with PTFE septum. The reaction
mixture was purged with O2 for 15 min to saturate solution with O2 and fill headspace with O2.
No external oxygen was supplied to the reaction. The vial with reaction mixture was irradiated
under a 300 W Xenon lamp (HAL-320 Solar Simulator, Class A, 300 W Xe lamp; power density
of 100 mW cm-2
). Experiments under different wavelengths were conducted with the same
reaction conditions except using specific wavelength LEDs (1.1 mW cm-2
). To monitor the
progress of the reaction, 0.1 mL sample was withdrawn from the vessel after each 1h and
analyzed with HPLC. The operating conditions for HPLC were as follows: mobile phase- 5 mM
H2SO4, Aminex HPX-87H column (300 x 7.8 mm, Bio-Rad), 0.6 mL/min flow rate, refractive
index detector (RID). The quantification and identification of the product were performed by
injecting standard solutions of possible compounds with known concentrations. Additionally, the
reaction mixture was also analyzed by 1
H NMR using D2O as a solvent and water peak
suppression method. To evaluate the effect of oxygen on the reaction product conversion and
yield, a reaction under 8 bar O2 pressure was also performed in a pressure vessel (Figure S28).
The corresponding calculations for glycerol conversion, glyceraldehyde selectivity, and
glyceraldehyde yield are presented below:
Glycerol oxidation reaction:
CH2(OH)-CH(OH)-CH2(OH) → CHO-CH(OH)-CH2(OH) + 2H+
+2e-

S18
Glycerol conversion =
[glycerol]O - [glycerol]T
[glycerol]O
× 100 %
Glyceraldehyde selectivity =
[glyceraldehyde]T
[glycerol]O - [glycerol]T
× 100 %
Glyceraldehyde yield =
[glyceraldehyde]T
[glycerol]O
× 100 %
[glycerol]O refers to the molar concentration of the initial glycerol solution, while [glycerol]T
corresponds to the molar concentration of glucose at time T during the reaction. Similarly,
[glyceraldehyde]T represents the molar concentration of glyceraldehyde at time T during the
reaction.
Furthermore, we have also calculated the gaseous products evolved in the reaction. In brief, a 30
mL borosil® glass vial was loaded with 10 mg catalysts and 10 mL HPLC grade water. The
catalyst was well dispered in water using sonication for 10 min and the vial was sealed with an
aluminum Crimp Cap with PTFE septum. Dissolved oxygen and any headspace gas was replace
with N2 by purging nitrogen to vial for 20 min. The reaction mixture was irradiated under AM1.5
G solar simulated irradiation (power density of 100 mW cm-2
). Another reaction was carried out
with 2g/L glycerol solution while keeping all other parameters the same. After 24h, 10 μL
gaseous product was withdrawn and injected in a GC equipped with a Molsieve column and
TCD/FID detector. The obtained peak area was calculated to μmol scale using a standard
gaseous mixture calibration curve.

S19
Figure S3. (a) HR-TEM images of CN at 10 nm scale bar showing amorphous graphenic sheets
(b) SAED pattern with a large ring for amorphous structure.

S20
Figure S4. HR-TEM images of KCN at (a) 200 nm scale bar showing graphenic sheets (b) at 20
nm scale showing largely amorphous sheet with some crystalline domains, bottom right inset
show 3.6 Å d-spacing calculated using line scan, inset show FFT of the entire image showing
diffraction ring from (002) plane (c) middle inset shows iFFT of the selected area in image b
showing resolved d-spacing, Top right FFT of the selected area showing circular lattice fringes,
bottom right iFFT calculated reciprocal distance of 1/3.4 Å. (d) SAED pattern of image b
showing circular diffraction ring for (002) plane of CN. (e) composite of C, N and K and
elemental mapping for (f) K (g) N (h) C (i) EDX spectra of KCN showing various elements.

S21
Figure S5. (a) Bright-field TEM images of TeKCN NRs (b) Dark field TEM images of TeKCN
NRs at 50 nm (c) TEM images of TeKCN NRs showing Te/TeO2 (46 nm) core and KCN shell (5
nm). Inset at the top shows FFT with intense diffraction spots for a dense crystalline Te/TeO2
core Bottom inset shows FFT with a broad diffraction ring for an amorphous KCN shell. (d)
SAED pattern of image c showing broad diffraction ring for KCN and intense spots for Te/TeO2.
(e) HAADF-STEM electron image of scan area and elemental mapping for (f) Te (g) O (h) N (i)
K (j) C (k) composite of K and Te (l) Composite of N and Te (m) EDX elemental mapping
showing peaks for various elements.

S22
Figure S6. HR-TEM images of TeKCN NRs at (a) 20 nm scale bar dense Te/TeO2 core and
KCN shell. (b) at 10 nm scale bar showing crystalline lattice fringes in the central region and
amorphous zone at the edge. Bottom inset shows a d-spacing of 2.5 Å related to monocrystalline
Te, Middle inset shows an intensity line scan intensity profile to show lattice spacing. The upper
inset shows FFT demonstrating sharp sports for single crystalline Te (c) iFFT image of image b
showing resolved lattice planes, inset showing calculated d-spacing. (d) SAED pattern showing
sharp diffraction spots for Te nanostructure (e) HAADF-STEM electron image of TeKCN NRs
and elemental mapping for (f) Te (g) O (h) C (i) N (j) K (k) composite of K and Te (l) N and Te
(m) K and Te (n) EDX spectra.

S23
Figure S7. (a) HAADF-STEM electron image TeKCN NSs and elemental mapping for (b) O (c)
C (d) K (e) Te (f) N (g) composite of N and Te (h) K and Te (i) EDX spectra.

S24
Figure S8. EELS spectra of TeKCNIr showing various elements edges.

S25
Figure S9. HR-TEM images of KCNIr at (a) 0.5 μm scale showing graphenic structure (b) at 10
nm scale bar showing amorphous sheet with some domain with typical CN (002) lattice fringes,
inset shows FFT of image with faint bright spots originated from (002) plane reflection (c)
Enlarged area of image b showing CN lattice fringe with 3.3 Å d-spacing. Bottom left inset
shows FFT with 3.3 Å d-spacing. The middle and right inset shows iFFT and corresponding d-
spacing of 3.3 Å. (d) HR-TEM image at 10 nm scale bar showing partial amorphous sheets with
(002) plane lattice fringes. (e) Enlarged area of image b showing CN lattice fringe with 3.3 Å d-
spacing. Bottom left inset shows FFT with 3.3 Å d-spacing. Middle and right inset shows iFFT
and corresponding d-spacing of 3.3 Å. (f) SAED pattern of image d showing broad circular ring
for largely amorphous carbon nitride materials.

S26
Figure S10. AC-HAADF STEM images of KCNIr at (a-b) 10 nm scale bar showing bright spots
for IrSA decorated on KCN sheets (b) enlarged area of image b showing Ir SA sites, Inset
showing line scan intensity profile for Ir SA. (d) ADF electron image showing EELS scan area
EELS elemental map of KCN for (e) C (f) N (g) K (h) EELS spectra showing C K-edge, K L-
edge and N K-edges.

S27
Figure S11. HR-TEM images of TeKCNIrP at (a-c) 100 nm scale bar showing TeO2
nanoparticles distributed on KCN sheets (b) 50 nm scale showing spherical TeO2 NPs embedded
in KCN (c) at 20 nm scale showing individual NPs (d) at 10 nm scale showing lattice fringes for
TeO2 and amorphous KCN, Inset shows FFT of the image with amorphous ring for CN and
intense dots for TeO2 (e) enlarged area of image d showing lattice fringes for TeO2, inset
displayed interplanar distance. (f) SAED pattern showing circular rings for KCN and
polycrystalline TeO2.

S28
Figure S12. AC-HAADF STEM images of TeKCNIrP at (a) 100 nm scale bar showing TeO2
NPs (b) at 10 nm scale bar showing a single TeO2 NP (c) at 10 nm scale bar showing IrSA. Inset
showing line intensity profile. (d) ADF electron image showing EELS scan area and EELS scan
for (e) C (f) N (g) K (h) Te (i) O (j) RGB composite of Te (red), N (green), K (blue) (k) EELS
spectra showing faint IrM and SK regions.

S29
Figure S13. (a) FTIR spectra of Lower to upper panel: CN, KCN, KCNIr, TeKCN5,
TeKCN10, TeKCNIr (b) Raman spectra of Lower to the upper panel: KCN, pristine Te,
TeKCN (c) XRD pattern Lower to upper panel: CN, KCN (d) XRD pattern of Lower to upper
panel: KCN, pristine Te, TeKCNIr Color code: CN (black), KCN (violet), KCNIr (green),
TeKCN5 (sky blue), TeKCN10 (dark blue), TeKCNIr (red), pristine Te (yellow).

S30
Figure S14. Synchrotron-based wide angle X-ray scattering (WAXS) 2D detector images and
the derived 1D diffraction patterns (a-b) CN and (c-d) CNIr (e-f) TeKCN10.

S31
Figure S15. (a) XPS survey scan and HR-XPS in (b) C1s (c) N1s (d) O1s region for CN.

S32
Figure S16. XPS survey scan for (a) KCN (b) TeKCN (c) TeKCNIr (d) TeKCNIrP.

S33
Figure S17. HR-XPS of KCN in (a) C1s (b) N1s (c) O1s (d) S2p regions.

S34
Figure S18. HR-XPS of KCNIr in (a) Survey scan (b) C1s (c) N1s (d) O1s (e) Cl2p and (f) Ir 4f
regions.

S35
Figure S19. HR-XPS of TeKCN in (a) C1s (b) N1s (c) O1s (d) Te3d regions.

S36
Figure S20. HR-XPS of TeKCNIr in (a) C1s (b) N1s (c) Cl2p (d) Te3d (e) O1s and (f) Ir4f
regions.

S37
Figure S21. HR-XPS of TeKCNIrP in (a) C1s (b) N1s (c) O1s (d) Te3d (e) Cl2p and (f) Ir4f
regions.

S38
Figure 22. EXAFS spectrum of TeKCNIrP.
Table S1. The EXAFS fitting parameters show coordination number (CN) and bond length.
Sample Chemical bond bond length CN δ2 10-3
ΔE R-factor
Ir foil Ir-Ir 2.71 (0.02) 12* 3.5 （0.3） 8.2 （0.3） 0.011
IrO2 Ir-O 1.99 (0.03) 6* 3.3（0.2） 8.2 （0.7） 0.007
CNIr
Ir-O 1.80 (0.13) 1.97 (0.18) 8.4 （0.9） 8.1 （0.8）
0.005
Ir-N 2.05 (0.14) 1.83 (0.15) 9.2 （0.7） 9.5 （0.6）
TeKCNIrP
Ir-O 1.84 (0.12) 1.92 (0.08) 8.3（0,6） 9.2 （0.7）
0.021
Ir-N 2.11 (0.09) 1.73 (0.13) 9.1（0.7） 8.8 （0.9）
TeKCNIr
Ir-O 1.88 (0.05) 1.85 (0.12) 9.0 (0.9） 5.9 (0.7）
0.008
Ir-N 2.18 (0.06) 1.89 (0.14) 8.2 (0.7) 9.2 (0.8)

S39
Figure S23. Optimized DFT models of (a) Ir metal (b) IrO2 (c) CNIr (d) KCNIr (e) TeCNIr (f)
TeKCNIr show bond length between Ir-Ir, Ir-O and Ir-N.

S40
Table S2. DFT calculated bond length and coordination number between Ir-O and Ir-N for
different IrO2 adsorbed systems.
Ir-O Bond Distance (Å) Ir-N Bond Distance (Å)
CNIr 1.738, 1.739 2.159, 2.175
TeCNIr 1.734, 1.736 2.170, 2.193
KCNIr 1.735, 1.736 2.156, 2.173
TeKCNIr 1.734, 1.736 2.169, 2.191
Table S3. The PL lifetime decay components and their contribution and calculated average
lifetime (τavg).
Sample 𝝉𝟏 (ns) A1 𝝉𝟐 (ns) A2 𝝉𝟑 (ns) A3 R2 𝝉𝒂𝒗𝒈 (ns)
CN 1.743
4500.4
81
5.505
2371.70
8
21.549 234.382 0.999 8.47
TeKCNIr 1.516
5250.1
55
5.358
2042.69
8
23.368 163.574 0.998 7.04
λex: 370 nm
Figure S24. EIS Nyquist plot of CN, KCN and TeKCNIr.

S41
Table S4. EIS fitting parameters and determined components.
Sample R1 (Ω) C1 (F) Q1 (F.s^(a-1) a1 Q2 (F.s^(a-1) a2 R2 (Ω) C2 (F)
CN 11.9 3.706e-6 68.09e-9 0.878 6 0.030 05 0.667 9 11.81 5.103e-3
KCN 12.35 41.83e-6 57.75e-9 0.905 6 0.064 55 0.495 2 9.835 6.924e-3
TeKCNIr 11.35 0.194e-6 80.31e-9 0.891 7 0.053 96 0.517 7 9.576 5.907e-3
Figure S25. HPLC chromatogram of glycerol oxidation product after 0, 8 and 24h showing the
evolution of glyceraldehyde peak.

S42
Figure S26. HPLC chromatogram of standard glycerol (1.61), glyceric acid (1.46 g/L),
dihydroxyacetone, DHA (0.87 g/L) and reaction product (2 g/L 10X dilution) demonstrating
glyceric acid as a main by-product of the reaction.

S43
Figure S27. 1
H NMR spectra of reaction product demonstrating the presence of aldehyde
protons of glyceraldehyde.

S44
Figure S28. Digital photograph of the reactor used for the photocatalytic oxidation of glycerol
under pressurized O2 (8 bar).

S45
Figure S29. Photocatalytic glycerol oxidation to glyceraldehyde over TeKCNIr catalyst and
under pressurized O2 (8 bar) showing glycerol conversion and yield.

S46
Figure S30. (a) CO2-TPD and (b) pyridine TPD spectra of upper to lower panel: CN (yellow),
KCN (violet), TeKCN10 (blue) and TeKCNIr (red)

S47
Figure S31. DTBP (2,6-di-tert-butylpyridine) TPD spectra of upper to lower panel: CN
(yellow), KCN (violet), TeKCN10 (blue) and TeKCNIr (red)

S48
Figure S32. Active sites count for the CN, KCN, TeKCN10 and TeKCNIr calculated by area
integration of CO2, pyridine and DTBP-TPD peaks.

S49
Figure S33. Tauc plot obtained using Kubelka-Munk function showing the band gap of different
materials.

S50
Figure S34. Mott-Schottky plot for KCN (violet), Te (black), TeKCN (blue) and TeKCNIr (red)
showing flat band potential of the materials.

S51
Figure S35. UPS work function spectra (a) CN (b) KCN (c) TeKCN (d) TeKCNIr

S52
Figure S36. XPS valence band spectra (a) CN (b) KCN (c) TeKCN (d) TeKCNIr

S53
Figure S37. Band structure of Te, CN and KCN estimated using Tauc plot, Mott-Schottky, UPS
and XPS VB spectra. *EVB vs NHE=(ϕ+EVB)-4.55; *ECB vs NHE=(ϕ+EVB- Ehv)-4.55.
Figure S38. Optimized geometries of (a) 2 x 2 x 1 supercell of CN and (b) 3 x 3 x 1 supercell of
Te (001) surface.

S54
Figure S39. (a) Optimized geometries of Te-C3N4, and (b) charge density difference iso-surface
of Te-C3N4.
Figure S40. Plot of Fermi energy corrected vacuum potential against the distance along the
normal direction to surface.

S55
Table S5. Comparison of photocatalytic activities of various catalysts for glycerol oxidation.
S.
No.
Catalyst Cat.
Amount
Gly.
amount
Light soruce Oxidant Conv.
(%)
Yield Select. (%)* Ref.
1. Fe-PILC 0.2 g L-1
0.1 M 5.5 W UV light
(254 nm, 4400
μW cm-2
in-situ
H2O2
0.22 mM
after 8 h
87 [11]
2. Bi2Ti2O7 - - - - 28.6 - - [12]
3. Bi2O3/Ti
O2
3 g L-1
0.3 M 120 W UV Hg
lamp (5.93 mW
cm-2
)
H2O2 88.7 - - [13]
4. Degussa
P25
0.2 mg 9.2 g L-1
125W Hg lamp - 35 GLAD-7
DHA-4
FA-3
[14]
5. ZnO 2.5 MG 0.276 125W Hg lamp - 36.2 GLAD-39.3
DHA-17.7
[15]
6. TiO2-
H2O2
3 mg 2.76 g L-
1
120W Hg lamp - 71.42 DHA-0.39
GCA-19.61
[16]
7. TiSi2 10 mg 100 mg
L-1
300W Xe lamp - 97.6 GCA-100 [17]
8. Na4W10O
32/SiO2
8 mg 0.92 g L-
1
> 290 nm - 16 GLAD-59.4
DHA-5.6
GCA-5.6
[18]
9. Ag-
AgBr/Ti
O2
1 g L-1
4.5 mM 1000 W Xe lamp - - GAD-19
DHA-13
[19]
10. Pt/defecti
ve TiO2
10 mg 0.3 M 300 W Xe lamp
(380–
800 nm,200 mW
cm−2
)
90.6% - GLYA-70.3 [20]
11. TiO2 0.1 g 4
mM/100
mL
CAN/wat
er
1000 W Xe lamp 96.8% - - DHA-17.8 [21]
12. 7.5 wt.%
Au/TiO2
1 mg 4.6 g L-1
> 420 nm - 48 - GLAD-8
DHA-50
GCOA-5
[22]
13. Au/TiO2 0.3 0.3 M 65 nm LED,
photon flux: 4 ×
1017
photons s–1
O2 - - Glycerate- >70 [23]
14. TiO2 10 mg (0.12
mmol)/H
2O/CH3C
N
LED (5 W, 365
nm)
O2 100 - FA-59
GLAD-15
[24]
Bi2WO6 5.3 mg 0.046 g
L-1
> 420 nm - 90 - DHA-93 [25]
15. 5 wt.%
Pd/TiO2
25 mg 46 g L-1
450W Xe lamp - 19 - GLAD-17
DHA-9
GCOA-30
FA-3
[26]
16. TiO2 1 1.84 g L-
1
300W Xe lamp - 20 - GCOA-49 [27]
17. O-doped
g-C3N4
10 mg 50 mmol
L-1
350 W Xe lamp
(150 mW cm-2
)
O2 6 DHA-1.8
mM L-1
DHA-62.6
GLAD-15.7
[28]

S56
(OCNN) GLAD-
0.5 mM
L-1
18.
Bi/Bi3.64
Mo0.36O6.
55
10 mg 65 mmol
L-1
125 W Xe O2 42.3 - DHA-97 [29]
19.
BiOBr/T
iO2
300 mg 0.3 mol
L−1
120W UV Hg
lamp (5.93
Mw/cm2
)
H2O2 - - GOX-76 [30]
20.
AuxCu-
CuS
15-20 μg 0.05 M 300 W Xe (100
mW cm-2
)
O2 72 - DHA-66 [31]
21.
Cu/TiO2
0.4 g L-1
0.1 mol
L-1
8W UV lamp O2 21% in 6
h
GLAD-
3.23
Form.-
8.17
FA-1.15
mM
GLAD-25
Form.-65
FA-9
[32]
22. ZnO/Fe-
thioporp
hyrazine
30 mg 3 mmol
L− 1
Xe lamp (λ ≥ 360
nm)
O2 27.3 - DHA-43.7
GLAD-22.4
[33]
*Gly-Glyceric acid, GLAD-glyceraldehyde, FA-formic acid, Form-formaldehyde, DHA-dihydroxyacetone, GOX-glyoxalic acid. GCOA-glycolic
acid.
References
[1] a) M. H. Engelhard, D. R. Baer, A. Herrera-Gomez, P. M. Sherwood, J. Vac. Sci.
Technol. A 2020, 38, 063203; b) G. H. Major, N. Fairley, P. M. Sherwood, M. R. Linford,
J. Terry, V. Fernandez, K. Artyushkova, J. Vac. Sci. Technol. A 2020, 38, 061203.
[2] A. F. Leontowich, A. Gomez, B. Diaz Moreno, D. Muir, D. Spasyuk, G. King, J. W.
Reid, C.-Y. Kim, S. Kycia, J. Synchrotron Rad. 2021, 28, 961.
[3] a) G. Kresse, J. Furthmüller, Physical review B 1996, 54, 11169; b) G. Kresse, J.
Furthmüller, Computational materials science 1996, 6, 15; c) G. Kresse, D. Joubert,
Physical review b 1999, 59, 1758.
[4] P. E. Blöchl, Physical review B 1994, 50, 17953.
[5] a) J. P. Perdew, K. Burke, M. Ernzerhof, Physical review letters 1996, 77, 3865; b) S.
Grimme, S. Ehrlich, L. Goerigk, Journal of computational chemistry 2011, 32, 1456.
[6] K. Momma, F. Izumi, Journal of applied crystallography 2011, 44, 1272.
[7] Y. Wang, G. Qiu, R. Wang, S. Huang, Q. Wang, Y. Liu, Y. Du, W. A. Goddard III, M. J.
Kim, X. Xu, Nat. Electron. 2018, 1, 228.
[8] D. Zhao, Z. Chen, W. Yang, S. Liu, X. Zhang, Y. Yu, W.-C. Cheong, L. Zheng, F. Ren,
G. Ying, J. Am. Chem. Soc. 2019, 141, 4086.

S57
[9] Y. Yin, Y. Zhang, T. Gao, T. Yao, J. Han, Z. Han, Z. Zhang, Q. Wu, B. Song, Mater.
Chem. Phys. 2017, 194, 293.
[10] U. K. Thakur, A. M. Askar, R. Kisslinger, B. D. Wiltshire, P. Kar, K. Shankar,
Nanotechnology 2017, 28, 274001.
[11] A. Mendoza, R. Romero, G. P. Gutiérrez-Cedillo, G. López-Tellez, O. Lorenzo-
González, R. M. Gómez-Espinosa, R. Natividad, Catal. Today 2020, 358, 149.
[12] M. Musso, S. Veiga, A. De León, A. Quevedo, J. Bussi, Mater. Lett. 2023, 330, 133346.
[13] P. Limpachanangkul, L. Liu, M. Hunsom, P. Piumsomboon, B. Chalermsinsuwan,
Energy Rep. 2022, 8, 1076.
[14] V. Augugliaro, H. H. El Nazer, V. Loddo, A. Mele, G. Palmisano, L. Palmisano, S.
Yurdakal, Catal. Today 2010, 151, 21.
[15] N. A. Hermes, A. R. Corsetti, A. S. Pacheco, M. A. Lansarin, J. Adv. Oxid. Technol.
2015, 18, 315.
[16] T. Jedsukontorn, V. Meeyoo, N. Saito, M. Hunsom, Chem. Eng. J. 2015, 281, 252.
[17] N. Kondamudi, M. Misra, S. Banerjee, S. Mohapatra, S. Mohapatra, Appl. Catal. B 2012,
126, 180.
[18] A. Molinari, A. Maldotti, A. Bratovcic, G. Magnacca, Catal. Today 2013, 206, 46.
[19] G. Rangarajan, R. Pal, R. Farnood, Mater. Lett. 2021, 292, 129535.
[20] M. Gao, X. Zhang, X. Li, Q. Wang, J. Feng, D. Li, AIChE Journal 2023, e18112.
[21] A. L. Imbault, J. Gong, R. Farnood, RSC Adv. 2020, 10, 4956.
[22] G. Dodekatos, H. Tüysüz, Catal. Sci. Technol. 2016, 6, 7307.
[23] Y. Shen, A. Mamakhel, X. Liu, T. W. Hansen, T. Tabanelli, D. Bonincontro, B. B.
Iversen, L. Prati, Y. Li, J. H. Niemantsverdriet, J. Phys. Chem. C 2019, 123, 19734.
[24] M. Liu, H. Liu, N. Li, C. Zhang, J. Zhang, F. Wang, ChemSusChem 2022, 15,
e202201068.
[25] Y. Zhang, N. Zhang, Z.-R. Tang, Y.-J. Xu, Chem. Sci. 2013, 4, 1820.
[26] B. Zhou, J. Song, H. Zhou, L. Wu, T. Wu, Z. Liu, B. Han, RSC Adv. 2015, 5, 36347.
[27] R. Chong, J. Li, X. Zhou, Y. Ma, J. Yang, L. Huang, H. Han, F. Zhang, C. Li, Chem.
Commun. 2014, 50, 165.
[28] P. Zhang, C. Yue, M. Fan, A. Haryonob, Y. Leng, P. Jiang, Catal. Sci. Technol. 2021, 11,
3385.

S58
[29] S. Zhao, Z. Dai, W. Guo, F. Chen, Y. Liu, R. Chen, Appl. Catal. B 2019, 244, 206.
[30] P. Limpachanangkul, P. Nimmmanterdwong, L. Liu, M. Hunsom, K. Pruksathorn, P.
Piumsomboon, B. Chalermsinsuwan, Sci. Rep. 2023, 13, 14936.
[31] L. Guo, Q. Sun, K. Marcus, Y. Hao, J. Deng, K. Bi, Y. Yang, J. Mater. Chem. A 2018, 6,
22005.
[32] O. Avilés-García, A. Mendoza-Zepeda, A. Regalado-Méndez, J. Espino-Valencia, S. L.
Martínez-Vargas, R. Romero, R. Natividad, Catalysts 2022, 12, 835.
[33] J. Yu, J. Gonzalez-Cobos, F. Dappozze, F. J. Lopez-Tenllado, J. Hidalgo-Carrillo, A.
Marinas, P. Vernoux, A. Caravaca, C. Guillard, Appl. Catal. B 2022, 318, 121843.

Isolated Iridium Sites on Potassium-Doped Carbon-nitride wrapped Tellurium Nanostructures for Enhanced Glycerol Photooxidation

Recommended

Recommended

More Related Content

Similar to Isolated Iridium Sites on Potassium-Doped Carbon-nitride wrapped Tellurium Nanostructures for Enhanced Glycerol Photooxidation

Similar to Isolated Iridium Sites on Potassium-Doped Carbon-nitride wrapped Tellurium Nanostructures for Enhanced Glycerol Photooxidation (20)

More from Pawan Kumar

More from Pawan Kumar (20)

Recently uploaded

Recently uploaded (20)

Isolated Iridium Sites on Potassium-Doped Carbon-nitride wrapped Tellurium Nanostructures for Enhanced Glycerol Photooxidation