会议专题

Optical properties of new photovoltaic materials: AgCuO2 and Ag2Cu2O3

AgCuO2 and Ag2Cu2O3 are new types of semiconductor materials. A theoretical study is presented for both the electronic and optical properties of these new photovoltaic materials in the framework of density functional theory (DFT). The calculated cohesive energy is-3.606 eV/atom and -3.723 eV/atom for Ag2Cu2O3 and AgCuO2, respectively. Electronic calculations indicate that AgCuO2 is a small band gap semiconductor and Ag2Cu2O3 is metallic in nature. The valency state of Cu is divalent in Ag2Cu2O3 and trivalent in AgCuO2. The largest absorption coefficient of CuO2 is 332 244, which is significantly greater than that of CulnSe2, CdTe, GaAs, etc.

J.Feng B.Xiao J.C.Chen C.T.Zhou Y.P.Du R.Zhou

Key Laboratory of Advanced Materials of Precious-Nonferrous Metals, Education Ministry of China, PR State Key Laboratory of Mechanical Behavior of Materials, School of Materials Science and Engineerin

国际会议

The 5th International Conference of Molecular Simulations and Applied Informatics Technologies(第五届国际分子模拟与信息技术应用学术会议 ICMS&I)

武汉

英文

129-133

2010-09-01(万方平台首次上网日期,不代表论文的发表时间)