DOI: 10.1039/d6ra07394h ISSN: 2046-2069
Multifunctional Janus XHfPH (X = S, Se, Te) semiconductors for solar water splitting: a first-principles analysis
Thinh D. Tran, Huynh V. Phuc, Le T. N. Tu, A. A. Lavrentyev, A. I. Kartamyshev, Tuan V. VuUsing first-principles density functional theory, we design and systematically investigate a family of highly stable Janus XHfPH (X = S, Se, Te) monolayers.