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Title: First principles modeling of the temperature dependent ternary phase diagram for the Cu-Pd-S system

Authors:
; ;
Publication Date:
OSTI Identifier:
1165435
Report Number(s):
A-UNIV-PUB-077
Journal ID: ISSN 0927-0256
DOE Contract Number:
DE-FE0004000
Resource Type:
Journal Article
Resource Relation:
Journal Name: Computational Materials Science; Journal Volume: 92
Research Org:
National Energy Technology Laboratory - In-house Research
Sponsoring Org:
USDOE Office of Fossil Energy (FE)
Country of Publication:
United States
Language:
English
Subject:
Bulk sulfidization; Sulfidization threshholds; First principles calculations; Phase stability; Phase diagram; Pd16S7; Pd4S; CuPdS