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studies of new materials based on hydrazine for solar cell application USING DFT and TD-DFT
1. Quad Charts
(Template for TRS Project)
References:
- Project Quad Chart Guidelines, Health Services Research & Development, U.S.
Department of Veterans Affairs
http://www.hsrd.research.va.gov/funding/quad_charts.cfm
- Instructions for building an entry Quad Chart, NASA
https://www.google.com.hk/url?sa=t&rct=j&q=&esrc=s&source=web&cd=7&cad=rja&ua
ct=8&ved=0CDsQFjAGahUKEwjIiZemhpvIAhVBFqYKHQxDAD4&url=http%3A%2F%2Festo.
nasa.gov%2Ffiles%2FEntryQuad_instructions_template.ppt&usg=AFQjCNG-
z5KjzjoJxbGaZR7wy8u2sDJQqg
2. Smart Solar Energy Harvesting, Storage and Utilization (T23-407/13-N)
Introduction / Motivation Graphical Representation / Approach
Achievements Scheduling
Planned VS Achieved
(Blank Template)
3. Introduction / Motivation Graphical Representation / Approach
Achievements
• CIGS cells
Fabrication recipe was optimized and power conversion efficiency (PCE) was
pushed to 19.42%. A novel ZnS/(Zn,Mg)O buffer layer was employed to replace
the conventional CdS buffer layer. A PCE of 17.25% was achieved with this
buffer layer. To further enhance the efficiency, the group is trying to employ
down-conversion layers, intentional dopping and etc.
• CIGS modules
PCE of the record module has reached 15.6% with a significant improvement in
FF (75%). Further improvements of CIGS modules are mainly focusing on the
employment of all-laser patterning system and the implementation of pattern
tracing function at this moment.
• CZTS co-evaporation system
Design, ordering and installation in the Run Run Shaw Science Building were
completed. Pre-experiment parameter calibrations are performed. Current
record cell showed a PCE of 2.3%. Fabrication parameters are still under
optimization.
• CZTS (Cu2ZnSnS4) cell
In collaboration with SIAT in Shenzhen, the group achieved a PCE of 8.58%
through co-sputtering and two-stage post annealing.
Scheduling
Planned VS Achieved
Smart Solar Energy Harvesting, Storage and Utilization (T23-407/13-N)
ST1: High Performance Vacuum Deposited Thin Film PV Cells and Modules
5-year Objective
%
Achieved
To develop new materials and processing techniques for thin
film photovoltaic (PV) devices and modules based on thin film
chalcopyrite and earth-abundant kesterite materials.
30%
Stage 1 (Jan. 1, 2014 - Oct. 31, 2014) % Achieved
1. Fabrication of CIGS devices with efficiency as high as 19.5%. 99%
2. Design, purchase and setup of CZTS co-evaporation equipment
system.
100%
3. Initiation of simulations on solar module design. 100%
Stage 2 (Nov. 1, 2014 - June 30, 2015)
4. Fabrication of CIGS devices with efficiency as high as 20%. 95%
5. Fabrication of CZTS devices with efficiency as high as 7%. 100%
6. Commencement of investigation on the defects of CZTS. 100%
7. Construction of solar modules of 10 cm ×10 cm with efficiency as
high as 13%.
100%
Xudong Xiao (Co-PI), Xinhui Lu, Jiannong Wang, Xieqiu Zhang
1. Co-sputtering and Sulfurization 2. Co-evaporation
Precursor
CZTS film
Sources
Co-sputtering
Sulfurization
CZTS film
Sources
Co-evaporation
+
Annealing
3. Solution Process
CZTS film
Solution precursor
Spin-coating
+
Annealing
Vacuum Process Non-Vacuum Process
Three main approaches to fabricate CZTS devices
4. Smart Solar Energy Harvesting, Storage and Utilization (T23-407/13-N)
Introduction / Motivation Graphical Representation / Approach
Achievements
• Thick-film polymer solar cells with 10.4% efficiency was achieved,
which is a new world-record for single-junction polymer solar
cells (suitable for large-area solar cell printing).
• Higher than 10% efficiency of polymer solar cells with non-
conventional fullerenes was achieved, with an attainment of
mechanistic understanding of a ternary OPV.
• Morphological and structural studies were carried out to
understand the formation mechanism of hybrid organometal
perovskites - a high efficiency photovoltaic material system.
• A new precursor compound was developed for synthesis of
perovskite photovoltaic materials. Solution processed perovskite
solar cells with PCE exceeding 17% was demonstrated. The
relevant mechanistic studies are in progress.
• An outstanding achievement of 9.2% PCE for multiple dye
sensitized quasi solid-state solar cells was attained, which was
beyond the highest PCE of 9.1% in the literature so far.
• A testing platform was established consisting of electrical, optical
and spectroscopic characterization tools to probe the electronic
processes in excitonic solar cells (XSCs).
• Several pieces of equipment for fabrication of high performance
perovskite solar cells and DSSC modules were designed and
purchased. The installation and initial testing are underway.
• A novel process scheme was developed for roll-to-roll printed
metal electrodes & optical gratings. A world record for precision
R2R printing on 4” wafer with 100nm resolution was achieved.
Scheduling
ST2: Solution Processed Excitonic Solar Cells
5-year Objective
%
achieved
To create an interdisciplinary research platform for
fundamental research in solution-processed thin film
photovoltaic devices and modules based on inorganic
and organic active materials.
30%
Stage 1 (Jan. 1, 2014 - Oct. 31, 2014) % Achieved
1. Material synthesis and paste preparation for DSSC anodes with efficient charge
transport properties
100%
2. Design and synthesis of high performance OPV materials. 100%
3. Setup of a testing platform consisting of electrical, optical and spectroscopic
characterization tools to probe the electronic processes in excitonic solar cells (XSCs).
100%
4. Device fabrication, initial testing and mechanistic studies. 100%
5. Equipment setup for fabrication of DSSC modules. 100%
Stage 2 (Nov. 1, 2014 - June 30, 2015)
6. Mechanistic study and optimization of DSSC at cell level. 100%
7. Fabrication of small DSSC modules (about 10 cm ×10 cm) with screen-printed
anode film.
100%
8. Achieving polymer solar cells with 10% efficiency. 100%
9. Development of nanostructured inorganic compounds for hybrid PV cells. 100%
10. Understanding of the fundamental aspects regarding how to control
polymer/fullerene morphology in polymer solar cells.
100%
Jianbin Xu (Co-PI), Ni Zhao, Henry Yan, Tao Chen, Shih-Chi Chen
Planned VS Achieved
Single-junction organic solar cells with a
record efficiency of 11.5% achieved
5. Smart Solar Energy Harvesting, Storage and Utilization (T23-407/13-N)
Introduction / Motivation Graphical Representation / Approach
Visible-light-driven photocatalysts in Solar energy harvesting by photocatalysis
Achievements
• Photon-energy upconversion through thermal
radiation reached an extremely high power efficiency
of 16% on Yb3+-doped ZrO2.
• The potential of this upconversion material was
demonstrated under direct concentrated sunlight
irradiation.
• A series of supramolecular artificial photosynthetic
arrays containing three different chromophores and
redox-active units held by non-covalent interactions
were assembled.
• Two novel donor-p-acceptor type BODIPY-based
sensitizers were synthesized which exhibited a power
conversion efficiency of up to 3.4% in dye-sensitized
solar cells.
• The upconversion property of g-C3N4 quantum dots
were discovered.
• Dielectric loss against piezoelectric power harvesting
was investigated.
• Bi2Te3 was synthesized.
• A general aerosol spray method was developed for
the synthesis of a variety of mesoporous metal
oxides.
• Synthesized high-purity, highly uniform and length-
variable silver nanorods with controllable multipolar
plasmon modes.
Scheduling
ST3: Alternative Energy Group
5-year Objectives
%
achieved
To develop novel light-trapping schemes for
the enhancement of photovoltaic efficiency.
30%
To explore novel metal oxides and organic
dyes for chemical fuels via artificial
photosynthetic and photocatalytic processes.
30%
Stage 1 (Jan. 1, 2014 - Oct. 31, 2014) % Achieved
1. Design, synthesis, and characterization of a series of artificial photosynthetic models with a
range of chromophores and redox-active units.
80%
2. Development of p-type thermoelectric materials. 80%
3. Growth of noble metal nanocrystals, methodological development in preparation of
macroscopic arrays of colloidal metal nanocrystals, and study of their individual and collective
plasmonic properties.
85%
4. Development of general methods for the preparation of single-component and multi-
component mesoporous metal oxides.
85%
5. Identification of potential upconversion materials for extending spectral response. 100%
Stage 2 (Nov. 1, 2014 - June 30, 2015)
6. Study of photophysical properties of these models using steady-state and time-resolved
spectroscopic methods.
70%
7. Development of n-type thermoelectric materials. 100%
8. Preparation of (noble metal nanocrystal)/(oxide semiconductor) hybrid nanostructures and
characterize their plasmonic properties.
80%
9. Characterization of structural and electronic properties of the mesoporous metal oxides. 70%
10. Integration of upconversion materials with photocatalysts. 90%
Planned VS Achieved
Jimmy Yu (Co-PI), Jianfang Wang, Dennis Ng, Wei-Hsin Liao, Dongyan Xu
6. Smart Solar Energy Harvesting, Storage and Utilization (T23-407/13-N)
Introduction / Motivation Graphical Representation / Approach
Achievements
• Design novel solution chemistry,
electrode and full aqueous RFB cells
with materials characterization. Novel
sulfur/carbon composite flow cathode
has been demonstrated to increase
energy density by 3 times compared to
other nonaqueous RFBs.
• Development nanostructured electrode
materials for high energy density
supercapacitors, including 3D curved
graphene, metal oxides and hydroxides,
and graphene-metal oxide composites.
• Design and fabrication of flow
supercapacitors.
Scheduling
ST4: Energy Storage Group
5-year Objectives
%
achieved
To develop new materials and processing
approaches for high energy-density
batteries and high performance
supercapacitors to be applicable for
Microgrids (MGs).
30%
Redox Flow Batteries (RFBs) – A promising
energy storage solution for grid application
Stage 1 (Jan. 1, 2014 - Oct. 31, 2014) % Achieved
1. Design of suitable aqueous electrolyte chemistry/composition and develop material synthesis
processes to make porous metallic electrodes for aqueous redox-flow batteries (RFBs).
100%
2. Development of CVD processes to make 3D grapheme. 100%
3. Equipment setup for characterization of supercapacitor and battery devices. 100%
Stage 2 (Nov. 1, 2014 - June 30, 2015)
4. Fabrication and characterization of porous metallic battery electrodes using transition metals or
carbon-based materials.
100%
5. Demonstration of full aqueous RFB cells using multi redox couples. 100%
6. Characterization of the interfacial chemistry of aqueous RFB cells to elucidate the reaction
mechanisms and electrode/electrolyte processes responsible for cell degradation.
100%
7. Fabrication and characterization of 3D graphene electrodes 100%
8. Fabrication of supercapacitors using 3D graphene electrodes 100%
9. Characterization of the electronic, physical, and chemical properties of 3D graphene and
understand how they are different from flat graphene sheets
100%
Planned VS Achieved
CP Wong (Co-PI), Yi-Chun Lu, Ni Zhao
7. Smart Solar Energy Harvesting, Storage and Utilization (T23-407/13-N)
Introduction / Motivation Approach
• Minghua: Micro-grid demand estimation, day-ahead market pricing,
scheduling use of battery to minimize operation cost
• Angela: Micro-grid planning and control as two layer optimization
problem
• Jianwei: Multiple interconnected microgrid cooperation using
multiple renewable resources (e.g. solar and wind)
• Kehuan: Smart meter and infrastructure security
• Dah Ming: Smart building data collection, analytics and usage
pricing schemes
Achievements
• Energy Generation Scheduling
Two site surveys (Electricity and heat demand traces from CEUS and
Renewable generation traces from NREL) and algorithm design were
completed. Four papers published.
• Demand Management
Site survey and data collection (year 1 objective) were completed with the
renewable generation traces from Hong Kong Observatory. The first
theoretical optimization framework of joint long-term renewable energy
investment and short-term demand response was proposed for microgrid,
and revealed the close coupling between investment and demand response.
Three papers published.
• Storage Management
Problem formulation (Design a frequency regulation mechanism) was
completed. Site survey and algorithm design (for optimal battery
charging/discharging) were ongoing.
• Cyber Security
Initial hands-on evaluation of MG components and survey of MG
components and solutions available in the market, as well as problem
formulation
• Smart Building Management
Collaborated well with Lee Woo Sing College of CUHK. One paper published.
Scheduling
Planned VS Achieved
ST5: Microgrid Monitoring, Management, and Comprehensive Security
Dahming Chiu (Co-PI), Minghua Chen, Jianwei Huang, Yingjun Zhang and Kehuan Zhang (IE@CUHK)
5-year Objective
%
achieved
To develop advanced strategies to integrate and control various
subsystems including charging and discharging of battery banks of
similar or dissimilar properties to enhance the MG-stability in
response to various operation conditions.
30%
Stage 1 (Jan. 1, 2014 - Oct. 31, 2014) % Achieved
1. Energy generation scheduling: site survey and algorithm design. 100%
2. Solar-embedded MG demand management: Site survey and data
collection.
100%
3. Storage system management: Preliminary study, problem formulation,
and site survey.
100%
Stage 2 (Nov. 1, 2014 - June 30, 2015)
4. Storage system management: Algorithm design. 90%
5. Cyber security: survey on the architectures and SCADA protocols used
in MGs, and draw a list of most common MG components to be studied
about their security issues.
90%
8. Smart Solar Energy Harvesting, Storage and Utilization (T23-407/13-N)
Introduction / Motivation Graphical Representation / Approach
Achievements
• The stage report and process report is underway. The lab
MG design is done and the implementation is to be
accomplished soon according to the timeframe set forth
before for Stage 1&2. Meanwhile, the design of hostel MG
is also carried out in close coloration with ST1, ST5 and Lee
Woo Sing College.
• One review paper on grid integration requirements of
microgrid development was published by Springer journal
JMPCE.
• Prof Zhao XU and Hong Kong Observatory (HKO) had
several meetings in early September 2014 for discussions
on prognosis analysis of solar, wind and other climate data
in Hong Kong. In mid-Sep 2014, an agreement has been
signed up where both parties agreed to collaborate on
using weather forecast data for solar energy prognosis.
Under this agreement, ST6 team can use weather forecast
data provided by HKO for relevant research tasks in the
project for free.
• Prof Zhao XU and his research students investigated a
security assessment for cascading outages, which is
published by IEEE Transactions on Power Systems.
Scheduling
ST6: Laboratory & Field demonstration of MGs with PV Modules & Smart Storage
5-year Objective % Achieved
To develop grid monitoring and control schemes
based on proper ICT standards and protocols to
ensure power system security.
28%
Stage 1 (Jan. 1, 2014 - Oct. 31, 2014) % Achieved
1. Stage report on power system requirements on integration of micro-resources. 100%
2. Stage report on laboratory MG design. 80%
Stage 2 (Nov. 1, 2014 - June 30, 2015)
3. Stage report on modeling and prediction of solar production. 90%
4 Stage report on student hostel MG design. 80%
Stage 3 (July 1, 2015 - June 30, 2016)
5. Real time control of demand in MG 60%
6. Smart inverter control for micro-resources 60%
7. Laboratory MG implementation 45%
Planned VS Achieved
Microgrid implementation
(version 2.0)
Zhao Xu (Co-PI), Zhao Yang Dong, David Hill, Hon Wing Ngan, Dong-ning Wang, Shengwei Wang, Siu-Chung Wong