Abstract: This paper presents an algorithm for modeling the basis of homodesmotic reactions (HDR). the software generates a basis set of homodesmotic reactions for the compounds under study and ...
Abstract: Thin film (Ag,Cu)(In,Ga)(SSe)2 has promising potential applications as a top cell in tandem solar cell devices. The chalcopyrite film must be deposited on a transparent back contact (TBC) ...
Department of Chemical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16801, United States ...