@misc{5f8b9333f4ab48dab4a3d761fa1e0316,
title = "Searching Stable CuxS Structures for Photovoltaic Application (Presentation): NREL (National Renewable Energy Laboratory)",
abstract = "The crystal and electronic band structures of CuxS (1.25 < x </= 2) are systematically studied using the density-functional theory method. For Cu2S, all the three chalcocite phases, i.e., the low-chalcocite, the high-chalcocite, and the cubic-chalcocite phases have direct band gaps around 1.3-1.5 eV, with the low-chalcocite being the most stable one. However, Cu vacancies can form spontaneously in these compounds, causing instability of Cu2S. We find that under Cu-rich condition, the anilite Cu1.75S is the most stable structure. It has a predicted band gap of 1.4 eV and is a promising solar cell absorber.",
keywords = "crystal and electronic band, CU1.75S, Cu2S, CuxS, density functional theory (df), photovoltaic, PV, structures",
author = "Yufeng Zhao and Qi Xu and Suhuai Wei and Yanfa Yan and Rommel Noufi and Bing Huang",
year = "2014",
language = "American English",
series = "Presented at the Photovoltaic Module Reliability Workshop (PVMRW), 25-26 February 2014, Golden, Colorado",
type = "Other",
}