Prediction of (TiO2)x(Cu2O)yalloys for efficient photoelectrochemical water splitting
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چکیده
منابع مشابه
Prediction of (TiO2)x(Cu2O)y alloys for efficient photoelectrochemical water splitting.
The formation of (TiO(2))(x)(Cu(2)O)(y) solid-solutions is investigated using a global optimization evolutionary algorithm. First-principles calculations based on density functional theory are then used to gain insight into the electronic properties of these alloys. We find that: (i) Ti and Cu in (TiO(2))(x)(Cu(2)O)(y) alloys have similar local environments as in bulk TiO(2) and Cu(2)O except f...
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ژورنال
عنوان ژورنال: Phys. Chem. Chem. Phys.
سال: 2013
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c2cp44484d