DFT calculation on relaxation and electronic structure of sulfide minerals surfaces in presence of H2O molecule

出版年份 2014 全文链接

标题

作者

关键词

sulfide minerals surfaces, H<sub>2</sub>O molecule, relaxation, electronic properties, density-functional theory (DFT) calculation

出版物

Volume 21, Issue 10, Pages 3945-3954

出版商

Springer Nature

发表日期

2014-10-16

DOI

10.1007/s11771-014-2382-9

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