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NCN Summer School: July 2011




   Modeling an Simulation of
Photovoltaic Devices and Systems
             Prof. Jeffery L. Gray

               grayj@purdue.edu
     Electrical and Computer Engineering
                Purdue University
         West Lafayette, Indiana USA
copyright 2011

This material is copyrighted by Jeffery L. Gray under
the following Creative Commons license.




Conditions for using these materials is described at

http://creativecommons.org/licenses/by-nc-sa/2.5/

                     Lundstrom 2011
                                                        2
Outline
1. Objectives of PV Modeling & Simulation

2. PV Device Modeling

3. Fundamental Limits

4. PV System Modeling (multijunction)

5. Detailed Numerical Simulation:
       “Under the Hood”

                                            3
Objectives of PV Modeling &
Simulation
1. Understanding of measured device operation
   •   dependence of terminal characteristics (Voc, Jsc, FF, η) on
       ◦ Device structure (dimensions, choice of materials, doping,
          etc.)
       ◦ Material parameters (mobility, lifetimes, etc.)
2. Predictions of performance
   •   Different operation conditions
        ◦ Temperature, illumination conditions, etc.




                                              Leads to improved
                                              designs
                                                                      4
Compact Models
• based on measured terminal characteristics, lumped
  element equivalent circuit models, and semi-analytical
  models
                                   Bulk and Surface
                                   Recombination
                                   Dominated
        ln J
                  Space Charge
                  Recombination
                  Dominated




                                                      q/2kT
         lnJ02

                            q/kT
         ln J01


                                      Voltage V

                                                              5
Compact Models
 • useful for representing
   overall device operation (in
   SPICE, for example)

 • provides some physical
   insight into device
   performance



I = I SC − I o1e q (V + IRS ) kT − I o 2 e q (V + IRS ) 2 kT − (V + IRS ) Rsh


                                                                          6
Analytic Models
• based on relevant device physics (minority
  carrier diffusion equation)
• provides deeper insight into device operation and
  design dependencies
• device and material characterization methods
  typically based on analytic models
• limited by simplifying assumptions




                                                  7
Minority Carrier Diffusion
Equation: D  ∂ m m−m                    2
                −    =−G ( x)                         o
                                   M
                                       ∂x 2    τm
Boundary Conditions:
                                                               BSF
Law of the Junction

                 ni2 qV
  p N (− x N ) =     e    kT                                          +
                                                                      P
                 ND
               ni2 qV
   nP ( xP ) =     e      kT
                               .
               NA

Contacts
     d∆p S F,eff                                      d∆n  S
         =       ∆p (−W N )            ∆n(WP ) =
                                               0 or       = ∆n(WP )
                                                          − BSF
      dx   Dp                                          dx   Dn

                                                                          8
It is worth noting that the effective front
   surface recombination velocity is not
   independent of the operating condition…


                                                                                        W       
                                                                           D      cosh N        
                                       WN                                              Lp
            (1 − s) S F G N τ p  cosh        − 1 + po (e           − 1)  s               + SF 
                                                           qV Ao kT             p
                                        Lp                               Lp           W       
                                                                                sinh N        
                                                                                        Lp      
S F,eff   =
                                                                         WN        
                           (1 − s )  po (e qV Ao kT
                                                     − 1) + G N τ p  cosh        − 1 
                                                                           Lp      
                                                                                   




                                                                                                     9
Special cases:

 • No grid (s=0):            S F,eff = S F

 • Full metal (s=1)          S F,eff → ∞

                                         S F + s D p WN
 • Dark                      S F,eff =
                                             1− s

 • Short-Circuit             S F,eff = S F
                                         S F + s D p WN
 • V large (~Open-Circuit)   S F,eff =
                                              1− s
                                                          10
But, I digress…
   MCDE D      ∂ ∆m ∆m                 2
                   −   =( x)
                       −G          M
                                       ∂x 2   τm
Boundary Conditions:
                                                            BSF
Law of the Junction

                 ni2 qV
  p N (− x N ) =     e    kT                                       +
                                                                   P
                 ND
               ni2 qV
   nP ( xP ) =     e      kT
                               .
               NA

Contacts
     d∆p S F,eff                                   d∆n  S
         =       ∆p (−W N )        ∆n(WP ) =
                                           0 or        = ∆n(WP )
                                                       − BSF
      dx   Dp                                       dx   Dn

                                                                       11
We can learn a lot from solving
the MCDE…
                     ∂ 2 ∆m ∆m
                  DM        −    =( x)
                                 −G
                      ∂x  2
                              τm


∆mM ( x) = ∆mM ogeneous ( x) + ∆mM
             hom                 particular
                                            ( x)
        = AM sinh[( x − xM ) Lm ] + BM cosh[( x − xM ) Lm ]
             + ∆mM
                 particular
                            ( x)

                                                         12
Effects of Base Lifetime on
Solar Cell Figures of Merit …




                                13
Effects of BSF on Solar Cell
Figures of Merit …




                               14
Spectral Response




                    15
What makes a good solar cell?
The key is the open-circuit voltage…

Consider a solar cell with a perfect BSF and very thin
emitter, then
   • All recombination occurs in the base (minority carrier
      lifetime is τm)
   • At open-circuit, minority carrier concentration in the
      base (width W) is constant wrt position and total
      recombination must equal total generation

                                            ∆m
      W             W
     q ∫ R( x)dx = q ∫ G ( x)dx   →     q        W = JL
       0             0
                                            τm
                                                              16
What makes a good solar cell?
Combining the “law of the junction” at open-circuit

          ni2 qVOC
      =∆m
          NB
              e          (         kT
                                        −1)

                J Lτ m
 with the   ∆m =             from the previous slide, yields
                qW


                                                               17
What makes a good solar cell?
                                                N Bτ m J L
                                VOC     = kT ln
                                                 qni2W


                kT
        VOC   −     ln[q VOC kT + 0.72]
FF =
                 q                                                  J SC = J L
                   VOC + kT q

                                   VOC FFJ SC
                                η=
                                       Pin

FF expression from: M. A. Green, Solar Cells: Operating Principles, Technology, and System
                                                                                             18
Applications, Prentice Hall, 1982.
What makes a good solar cell?
  High VOC yields high FF and JSC, hence efficiency

                                   N Bτ m J L
                     VOC   = kT ln
                                    qni2W

  • Optically thick (light trapping)
  • Mechanically thin
  • High doping (trade-off with lifetime and ni {bandgap
    narrowing})
  • Wide bandgap [low ni] (trade-off with JL)
  • Plus, assumptions of perfect BSF and thin emitter
  • Slight modifications for high-injection conditions and for other
    dominant recombination mechanisms (Auger, radiative)

                                                                       19
What makes a good solar cell?




                                20
What makes a good solar cell?




                                21
Fundamental Limits

                                                                “Ultimate” Efficiency1

                                                                But a single junction solar cell
                                                                does not use all the photons
                                                                efficiently.
                                        JSC=JL
                                        FF=1
                                        qVOC=EG




1W. Shockley, W. and H. J. Queisser, “Detailed Balance Limit of Efficiency of p-n Junction Solar Cells,” J. 22
                                                                                                            of
Appl. Phys., 32(3), 1961, pp. 510-519.
Carnot Limit (thermodynamic)

                Tsolar cell
        η=
         1−                  =
                             94.8%
            TSun (~ 5800 K )

• More detailed calculations put the limit at ~87% as the
  number of junctions approaches infinity (~300K)
• Efficiency actually peaks for a finite number of junctions
  and approaches zero as the number of junctions
  approaches infinity

                                                               23
Fundamental Limits




Gray, J.L.;et. al., "Peak efficiency of multijunction photovoltaic systems," Photovoltaic Specialists Conference
                                                                                                            24
(PVSC), 2010 35th IEEE , pp.002919-002923, 20-25 June 2010
System Modeling                            LIGHT




 Modeling and analysis of
 multijunction PV systems can
 benefit from a different view of
 the efficiency.

    1
η=
   Pin
          ∑
         junctons
                    VOC , j FFj J S   Cj
                                      ,




                                                   25
System Efficiency

ηsys = ηultimate η photon ηic ∑ β i FFi ηV ,i ηC,i
                                                                                        1
ηphoton: efficiency of photon absorption                                                    EG,i Igen,i
                                                                           βi =         q

ηic: electrical interconnect efficiency                                              ∑      1
                                                                                            q
                                                                                                EG,i Igen,i
ηV,i: voltage efficiency (qVOC/EG)
ηC,i: collection efficiency
Achievement of a PV system efficiency of greater than 50%
requires that the geometric average of these six terms
(excluding β) must exceed ( 0.5 ) = 0.891
                                                        1
                                                            6




Gray, J. L.; et.al. , "Efficiency of multijunction photovoltaic systems," Photovoltaic Specialists Conference,
                                                                                                             26
2008. PVSC '08. 33rd IEEE , pp.1-6, 11-16 May 2008.
Detailed Numerical Simulation

• based on more rigorous device physics
• numerical solution circumvents need for simplifying
  assumptions, i.e. allows spatially variable parameters
• provides predictive capability
   o Terminal Characteristics (I-V, SR, C-V, etc.)
• provides diagnostic capability
   o Can examine internal parameters (energy band,
     recombination, etc.)
• Ability to test simplifying assumption in analytic modeling


                                                                27
Historical Overview of Solar Cell
Simulation at Purdue (not comprehensive)
  SCAP1D (Lundstrom/Schwartz ~1979)
     x-Si solar cells (1D)
  SCAP2D (Gray/Schwartz ~ 1981)
     x-Si solar cells (2D)
  PUPHS (Lundstrom, et. al. mid-1980s)
     III-V heterostructure solar cells (1D)
  TFSSP (Gray/Schwartz mid-1980s)
     Amorphous Si solar cells (1D)
  ADEPT (Gray, et. al. late 1980s to present)
     A Device Emulation Program and Tool(box)
     Arbitrary heterostructure solar cells (CIS, CdTe, a-Si, Si, GaAs,
      AlGaAs, HgCdTe, InGaP, InGaN, …)
     Fortran version (1D, on nanoHUB )
     C versions (1D, 2D -- 3D capable, but not extensively used)
     MatLab ™ toolbox (under development – 1D, 2D, 3D)
                                                                          28
Simulation Inputs
 solar cell structure: composition, contacts, doping,
  dimensions
 material properties: dielectric constant, band gap,
  electron affinity, other band parameters, absorption
  coefficients, carrier mobilities, recombination
  parameters, etc.
 operating conditions: operating temperature, applied
  bias, illumination spectrum, small-signal frequency,
  transient parameters




                                                         29
Simulation Inputs
The ADEPT input file consists of a series of diktats:

      *title    simple example
      mesh      nx=500
      layer     tm=2 nd=1.e17 eg=1.12 ks=11.9 ndx=3.42
      +        nv=1.83e19 nc=3.22e19 up=400. un=800.
      layer     tm=200 na=1.e16 eg=1.12 ks=11.9 ndx=3.42
      +                  nv=1.83e19 nc=3.22e19 up=400. un=800.
      genrec    gen=dark
      i-v       vstart=0 vstop=.1 dv=.1
      solve     itmax=100 delmax=1.e-6




                                                                 30
Simulation Outputs
 the numerical solution provides the value of the potential,
  V, and the carrier concentrations, p and n at every point
  within the device, from which one can compute and
  display:
   • the terminal characteristics, i.e. I-V, cell efficiency,
     spectral response, etc. [predictive]
   • a microscopic view of any internal parameter – for
     example, recombination rate (i.e. losses) [diagnostic]




                                                            31
Sample output: terminal
characteristics




                          32
Sample output:
recombination rate




                     33
Detailed Numerical Simulation
‘Under the Hood’
Semiconductor Equations
                  ∇ ⋅ ε∇V = −q ( p − n + N )
                 ∂ p                                      ∂n
∇ ⋅= q  G − R p −
   Jp                               ∇ ⋅ J n = −q  G − Rn −       
                  ∂t                                         ∂t 
                                    
J p = µ p ∇ (V − V p ) − kT µ p ∇p
    −q                               J n = µn∇ (V + Vn ) + kT µn∇n
                                          −q

Operating conditions, material properties, and other
physics are in the B.C. and T, ε, N, G, Rp, Rn, µp, µn, Vp,
and Vn.
                                                                       34
Numerical Solution
 Transform differential equations into difference
  equations on a spatial grid – yields a large set of non-
  linear difference equations.
 Use a a generalized Newton method to solve – results
  in a iterative sequence of matrix equations
                    J (v k )∆v k +1 = (v k )
                                    −F
  •   v = [p n V]; F(vk) is the set of difference equations
  •   J(∆vk) is a sparse block tri-diagonal matrix of order 3n , where n
      is the number of mesh points (1D)
  •   In 2D (n x m grid), J(∆vk) is a sparse block tri-diagonal matrix of
      order 3nm


                                                                        35
Sparseness of 1D Jacobi matrix




                                 36
Sparseness of 2D Jacobi matrix




                                 37
Questions




            38

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Solar Cells Lecture 3: Modeling and Simulation of Photovoltaic Devices and Systems

  • 1. NCN Summer School: July 2011 Modeling an Simulation of Photovoltaic Devices and Systems Prof. Jeffery L. Gray grayj@purdue.edu Electrical and Computer Engineering Purdue University West Lafayette, Indiana USA
  • 2. copyright 2011 This material is copyrighted by Jeffery L. Gray under the following Creative Commons license. Conditions for using these materials is described at http://creativecommons.org/licenses/by-nc-sa/2.5/ Lundstrom 2011 2
  • 3. Outline 1. Objectives of PV Modeling & Simulation 2. PV Device Modeling 3. Fundamental Limits 4. PV System Modeling (multijunction) 5. Detailed Numerical Simulation: “Under the Hood” 3
  • 4. Objectives of PV Modeling & Simulation 1. Understanding of measured device operation • dependence of terminal characteristics (Voc, Jsc, FF, η) on ◦ Device structure (dimensions, choice of materials, doping, etc.) ◦ Material parameters (mobility, lifetimes, etc.) 2. Predictions of performance • Different operation conditions ◦ Temperature, illumination conditions, etc. Leads to improved designs 4
  • 5. Compact Models • based on measured terminal characteristics, lumped element equivalent circuit models, and semi-analytical models Bulk and Surface Recombination Dominated ln J Space Charge Recombination Dominated q/2kT lnJ02 q/kT ln J01 Voltage V 5
  • 6. Compact Models • useful for representing overall device operation (in SPICE, for example) • provides some physical insight into device performance I = I SC − I o1e q (V + IRS ) kT − I o 2 e q (V + IRS ) 2 kT − (V + IRS ) Rsh 6
  • 7. Analytic Models • based on relevant device physics (minority carrier diffusion equation) • provides deeper insight into device operation and design dependencies • device and material characterization methods typically based on analytic models • limited by simplifying assumptions 7
  • 8. Minority Carrier Diffusion Equation: D ∂ m m−m 2 − =−G ( x) o M ∂x 2 τm Boundary Conditions: BSF Law of the Junction ni2 qV p N (− x N ) = e kT + P ND ni2 qV nP ( xP ) = e kT . NA Contacts d∆p S F,eff d∆n S = ∆p (−W N ) ∆n(WP ) = 0 or = ∆n(WP ) − BSF dx Dp dx Dn 8
  • 9. It is worth noting that the effective front surface recombination velocity is not independent of the operating condition…  W   D cosh N   WN  Lp (1 − s) S F G N τ p  cosh − 1 + po (e − 1)  s + SF  qV Ao kT p  Lp   Lp W     sinh N   Lp  S F,eff =   WN  (1 − s )  po (e qV Ao kT − 1) + G N τ p  cosh − 1    Lp     9
  • 10. Special cases: • No grid (s=0): S F,eff = S F • Full metal (s=1) S F,eff → ∞ S F + s D p WN • Dark S F,eff = 1− s • Short-Circuit S F,eff = S F S F + s D p WN • V large (~Open-Circuit) S F,eff = 1− s 10
  • 11. But, I digress… MCDE D ∂ ∆m ∆m 2 − =( x) −G M ∂x 2 τm Boundary Conditions: BSF Law of the Junction ni2 qV p N (− x N ) = e kT + P ND ni2 qV nP ( xP ) = e kT . NA Contacts d∆p S F,eff d∆n S = ∆p (−W N ) ∆n(WP ) = 0 or = ∆n(WP ) − BSF dx Dp dx Dn 11
  • 12. We can learn a lot from solving the MCDE… ∂ 2 ∆m ∆m DM − =( x) −G ∂x 2 τm ∆mM ( x) = ∆mM ogeneous ( x) + ∆mM hom particular ( x) = AM sinh[( x − xM ) Lm ] + BM cosh[( x − xM ) Lm ] + ∆mM particular ( x) 12
  • 13. Effects of Base Lifetime on Solar Cell Figures of Merit … 13
  • 14. Effects of BSF on Solar Cell Figures of Merit … 14
  • 16. What makes a good solar cell? The key is the open-circuit voltage… Consider a solar cell with a perfect BSF and very thin emitter, then • All recombination occurs in the base (minority carrier lifetime is τm) • At open-circuit, minority carrier concentration in the base (width W) is constant wrt position and total recombination must equal total generation ∆m W W q ∫ R( x)dx = q ∫ G ( x)dx → q W = JL 0 0 τm 16
  • 17. What makes a good solar cell? Combining the “law of the junction” at open-circuit ni2 qVOC =∆m NB e ( kT −1) J Lτ m with the ∆m = from the previous slide, yields qW 17
  • 18. What makes a good solar cell? N Bτ m J L VOC = kT ln qni2W kT VOC − ln[q VOC kT + 0.72] FF = q J SC = J L VOC + kT q VOC FFJ SC η= Pin FF expression from: M. A. Green, Solar Cells: Operating Principles, Technology, and System 18 Applications, Prentice Hall, 1982.
  • 19. What makes a good solar cell? High VOC yields high FF and JSC, hence efficiency N Bτ m J L VOC = kT ln qni2W • Optically thick (light trapping) • Mechanically thin • High doping (trade-off with lifetime and ni {bandgap narrowing}) • Wide bandgap [low ni] (trade-off with JL) • Plus, assumptions of perfect BSF and thin emitter • Slight modifications for high-injection conditions and for other dominant recombination mechanisms (Auger, radiative) 19
  • 20. What makes a good solar cell? 20
  • 21. What makes a good solar cell? 21
  • 22. Fundamental Limits “Ultimate” Efficiency1 But a single junction solar cell does not use all the photons efficiently. JSC=JL FF=1 qVOC=EG 1W. Shockley, W. and H. J. Queisser, “Detailed Balance Limit of Efficiency of p-n Junction Solar Cells,” J. 22 of Appl. Phys., 32(3), 1961, pp. 510-519.
  • 23. Carnot Limit (thermodynamic) Tsolar cell η= 1− = 94.8% TSun (~ 5800 K ) • More detailed calculations put the limit at ~87% as the number of junctions approaches infinity (~300K) • Efficiency actually peaks for a finite number of junctions and approaches zero as the number of junctions approaches infinity 23
  • 24. Fundamental Limits Gray, J.L.;et. al., "Peak efficiency of multijunction photovoltaic systems," Photovoltaic Specialists Conference 24 (PVSC), 2010 35th IEEE , pp.002919-002923, 20-25 June 2010
  • 25. System Modeling LIGHT Modeling and analysis of multijunction PV systems can benefit from a different view of the efficiency. 1 η= Pin ∑ junctons VOC , j FFj J S Cj , 25
  • 26. System Efficiency ηsys = ηultimate η photon ηic ∑ β i FFi ηV ,i ηC,i 1 ηphoton: efficiency of photon absorption EG,i Igen,i βi = q ηic: electrical interconnect efficiency ∑ 1 q EG,i Igen,i ηV,i: voltage efficiency (qVOC/EG) ηC,i: collection efficiency Achievement of a PV system efficiency of greater than 50% requires that the geometric average of these six terms (excluding β) must exceed ( 0.5 ) = 0.891 1 6 Gray, J. L.; et.al. , "Efficiency of multijunction photovoltaic systems," Photovoltaic Specialists Conference, 26 2008. PVSC '08. 33rd IEEE , pp.1-6, 11-16 May 2008.
  • 27. Detailed Numerical Simulation • based on more rigorous device physics • numerical solution circumvents need for simplifying assumptions, i.e. allows spatially variable parameters • provides predictive capability o Terminal Characteristics (I-V, SR, C-V, etc.) • provides diagnostic capability o Can examine internal parameters (energy band, recombination, etc.) • Ability to test simplifying assumption in analytic modeling 27
  • 28. Historical Overview of Solar Cell Simulation at Purdue (not comprehensive)  SCAP1D (Lundstrom/Schwartz ~1979)  x-Si solar cells (1D)  SCAP2D (Gray/Schwartz ~ 1981)  x-Si solar cells (2D)  PUPHS (Lundstrom, et. al. mid-1980s)  III-V heterostructure solar cells (1D)  TFSSP (Gray/Schwartz mid-1980s)  Amorphous Si solar cells (1D)  ADEPT (Gray, et. al. late 1980s to present)  A Device Emulation Program and Tool(box)  Arbitrary heterostructure solar cells (CIS, CdTe, a-Si, Si, GaAs, AlGaAs, HgCdTe, InGaP, InGaN, …)  Fortran version (1D, on nanoHUB )  C versions (1D, 2D -- 3D capable, but not extensively used)  MatLab ™ toolbox (under development – 1D, 2D, 3D) 28
  • 29. Simulation Inputs  solar cell structure: composition, contacts, doping, dimensions  material properties: dielectric constant, band gap, electron affinity, other band parameters, absorption coefficients, carrier mobilities, recombination parameters, etc.  operating conditions: operating temperature, applied bias, illumination spectrum, small-signal frequency, transient parameters 29
  • 30. Simulation Inputs The ADEPT input file consists of a series of diktats: *title simple example mesh nx=500 layer tm=2 nd=1.e17 eg=1.12 ks=11.9 ndx=3.42 + nv=1.83e19 nc=3.22e19 up=400. un=800. layer tm=200 na=1.e16 eg=1.12 ks=11.9 ndx=3.42 + nv=1.83e19 nc=3.22e19 up=400. un=800. genrec gen=dark i-v vstart=0 vstop=.1 dv=.1 solve itmax=100 delmax=1.e-6 30
  • 31. Simulation Outputs  the numerical solution provides the value of the potential, V, and the carrier concentrations, p and n at every point within the device, from which one can compute and display: • the terminal characteristics, i.e. I-V, cell efficiency, spectral response, etc. [predictive] • a microscopic view of any internal parameter – for example, recombination rate (i.e. losses) [diagnostic] 31
  • 34. Detailed Numerical Simulation ‘Under the Hood’ Semiconductor Equations ∇ ⋅ ε∇V = −q ( p − n + N )   ∂ p   ∂n ∇ ⋅= q  G − R p − Jp  ∇ ⋅ J n = −q  G − Rn −   ∂t   ∂t    J p = µ p ∇ (V − V p ) − kT µ p ∇p −q J n = µn∇ (V + Vn ) + kT µn∇n −q Operating conditions, material properties, and other physics are in the B.C. and T, ε, N, G, Rp, Rn, µp, µn, Vp, and Vn. 34
  • 35. Numerical Solution  Transform differential equations into difference equations on a spatial grid – yields a large set of non- linear difference equations.  Use a a generalized Newton method to solve – results in a iterative sequence of matrix equations J (v k )∆v k +1 = (v k ) −F • v = [p n V]; F(vk) is the set of difference equations • J(∆vk) is a sparse block tri-diagonal matrix of order 3n , where n is the number of mesh points (1D) • In 2D (n x m grid), J(∆vk) is a sparse block tri-diagonal matrix of order 3nm 35
  • 36. Sparseness of 1D Jacobi matrix 36
  • 37. Sparseness of 2D Jacobi matrix 37
  • 38. Questions 38