The stability and electronic and photocatalytic properties of the ZnWO4 (010) surface determined from first-principles and thermodynamic calculations
Keyword(s):
The ZnWO4 (010) surface termination stability is studied using a density functional theory-based thermodynamic approach. The stability phase diagram shows that O-Zn, DL-W, and DL-Zn terminations of ZnWO4 (010) can be stabilized.
Revisiting the zero-temperature phase diagram of stoichiometric SrCoO3 with first-principles methods
2016 ◽
Vol 18
(44)
◽
pp. 30686-30695
◽
2014 ◽
Vol 5
◽
pp. A24
◽
2017 ◽
Vol 19
(48)
◽
pp. 32626-32635
◽
2019 ◽
Vol 75
(2)
◽
pp. 260-272
◽
Keyword(s):
2017 ◽
Vol 19
(24)
◽
pp. 15996-16002
◽
The effect of impurities in ultra-thin hydrogenated silicene and germanene: a first principles study
2015 ◽
Vol 17
(34)
◽
pp. 22210-22216
◽