Rational screening low-cost counter electrodes for dye-sensitized solar cells

Dye-sensitized solar cells have attracted intense research attention owing to their ease of fabrication, cost-effectiveness and high efficiency in converting solar energy. Noble platinum is generally used as catalytic counter electrode for redox mediators in electrolyte solution. Unfortunately, platinum is expensive and non-sustainable for long-term applications. Therefore, researchers are facing with the challenge of developing low-cost and earth-abundant alternatives. So far, rational screening of non-platinum counter electrodes has been hamstrung by the lack of understanding about the electrocatalytic process of redox mediators on various counter electrodes. Here, using first-principle quantum chemical calculations, we studied the electrocatalytic process of redox mediators and predicted electrocatalytic activity of potential semiconductor counter electrodes. On the basis of theoretical predictions, we successfully used rust (α-Fe2O3) as a new counter electrode catalyst, which demonstrates promising electrocatalytic activity towards triiodide reduction at a rate comparable to platinum.

[1]  Michael Grätzel,et al.  Photoelectrochemical cells , 2001, Nature.

[2]  Ming He,et al.  Low‐Cost Copper Zinc Tin Sulfide Counter Electrodes for High‐Efficiency Dye‐Sensitized Solar Cells. , 2012 .

[3]  N. Papageorgiou,et al.  Counter-electrode function in nanocrystalline photoelectrochemical cell configurations , 2004 .

[4]  Christopher D. Taylor,et al.  Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111). , 2006, The journal of physical chemistry. B.

[5]  Xin Xu,et al.  In situ growth of Co(0.85)Se and Ni(0.85)Se on conductive substrates as high-performance counter electrodes for dye-sensitized solar cells. , 2012, Journal of the American Chemical Society.

[6]  M. Grätzel Photoelectrochemical cells : Materials for clean energy , 2001 .

[7]  Xueping Gao,et al.  Carbon nanotubes with titanium nitride as a low-cost counter-electrode material for dye-sensitized solar cells. , 2010, Angewandte Chemie.

[8]  Michael Grätzel,et al.  Recent advances in sensitized mesoscopic solar cells. , 2009, Accounts of chemical research.

[9]  Michael Grätzel,et al.  Solvent‐Free Ionic Liquid Electrolytes for Mesoscopic Dye‐Sensitized Solar Cells , 2009 .

[10]  H. Pettersson,et al.  Dye-sensitized solar cells. , 2010, Chemical Reviews.

[11]  M. Grätzel,et al.  A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films , 1991, Nature.

[12]  M. Zic,et al.  Monitoring the hydrothermal precipitation of α-Fe2O3 from concentrated Fe(NO3)3 solutions partially neutralized with NaOH , 2011 .

[13]  Xueping Gao,et al.  Highly Pt-like electrocatalytic activity of transition metal nitrides for dye-sensitized solar cells , 2011 .

[14]  Zhang Lan,et al.  Application of microporous polyaniline counter electrode for dye-sensitized solar cells , 2008 .

[15]  Anders Hagfeldt,et al.  Low-cost molybdenum carbide and tungsten carbide counter electrodes for dye-sensitized solar cells. , 2011, Angewandte Chemie.

[16]  Jun Cheng,et al.  Theory of the Kinetics of Chemical Potentials in Heterogeneous Catalysis , 2011, Angewandte Chemie.

[17]  Huicheng Sun,et al.  Dye-sensitized solar cells with NiS counter electrodes electrodeposited by a potential reversal technique , 2011 .

[18]  Yanhong Luo,et al.  A flexible carbon counter electrode for dye-sensitized solar cells , 2009 .

[19]  G. Calogero,et al.  A new type of transparent and low cost counter-electrode based on platinum nanoparticles for dye-sensitized solar cells , 2011 .

[20]  Jinwoo Lee,et al.  Platinum-free tungsten carbides as an efficient counter electrode for dye sensitized solar cells. , 2010, Chemical communications.

[21]  L. Maurer,et al.  Be flexible , 2008, IEEE Microwave Magazine.

[22]  Michael Grätzel,et al.  Low cost photovoltaic modules based on dye sensitized nanocrystalline titanium dioxide and carbon powder , 1996 .

[23]  J. Trancik,et al.  Transparent and catalytic carbon nanotube films. , 2008, Nano letters.

[24]  G. Lu,et al.  An understanding and implications of the coverage of surface free sites in heterogeneous catalysis. , 2009, The Journal of chemical physics.

[25]  J. Moser,et al.  A cobalt complex redox shuttle for dye-sensitized solar cells with high open-circuit potentials , 2012, Nature Communications.

[26]  Juan Bisquert,et al.  Correlation between Photovoltaic Performance and Impedance Spectroscopy of Dye-Sensitized Solar Cells Based on Ionic Liquids , 2007 .

[27]  Anders Hagfeldt,et al.  A novel catalyst of WO2 nanorod for the counter electrode of dye-sensitized solar cells. , 2011, Chemical communications.

[28]  P. Hu,et al.  Bronsted-Evans-Polanyi relation of multistep reactions and volcano curve in heterogeneous catalysis , 2008 .

[29]  G. Kresse,et al.  Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .

[30]  M. Alfredsson,et al.  Comparison of a calculated and measured XANES spectrum of α-Fe2O3. , 2011, Physical chemistry chemical physics : PCCP.

[31]  T. Ma,et al.  High-performance phosphide/carbon counter electrode for both iodide and organic redox couples in dye-sensitized solar cells , 2012 .

[32]  P. Liska,et al.  Fabrication of thin film dye sensitized solar cells with solar to electric power conversion efficiency over 10 , 2008 .

[33]  Wei Guo,et al.  Economical Pt-free catalysts for counter electrodes of dye-sensitized solar cells. , 2012, Journal of the American Chemical Society.

[34]  Andreas Georg,et al.  Diffusion in the electrolyte and charge-transfer reaction at the platinum electrode in dye-sensitized solar cells , 2001 .

[35]  H. Butt,et al.  Efficient platinum-free counter electrodes for dye-sensitized solar cell applications. , 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

[36]  Takurou N. Murakami,et al.  Counter electrodes for DSC: Application of functional materials as catalysts , 2008 .

[37]  Ali Alavi,et al.  CO oxidation on Pt(111): An ab initio density functional theory study , 1998 .

[38]  Feng Gao,et al.  Low-symmetry iron oxide nanocrystals bound by high-index facets. , 2010, Angewandte Chemie.

[39]  Hafner,et al.  Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. , 1994, Physical review. B, Condensed matter.

[40]  M. Grätzel,et al.  CoS supersedes Pt as efficient electrocatalyst for triiodide reduction in dye-sensitized solar cells. , 2009, Journal of the American Chemical Society.