First-principles calculations of electronic properties, surface stability and photocatalytic potentials of seleno-germanates A2GeSe4 (A = Mg; γ-Sr) surfaces for a promising visible light photocatalytic application
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DOI: 10.1016/j.mtcomm.2020.101799
Abstract: Abstract The four low-index, (100), (101), (110) and (111) surfaces of the A 2 GeSe 4 (A = Mg; γ -Sr) seleno-germanates were studied using the first principles generalised gradient density functional theory approximation. From the optimized… read more here.
Keywords: gese 111; surface; 111 surfaces; density ... See more keywords