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cond-mat.mtrl-sci2020★ 2 cited
Metastability Triggered Reactivity in Clusters at Realistic Conditions: A Case Study of N-doped (TiO) for Photocatalysis
Shikha Saini, Pooja Basera, Manish Kumar +2
Here we report a strategy, by taking a prototypical model system for photocatalysis (viz. N-doped (TiO) clusters), to accurately determine low energy metastable structures…
cond-mat.mtrl-sci2020★ 15 cited
Theoretical insights of codoping to modulate electronic structure of TiO and SrTiO for enhanced photocatalytic efficiency
Manish Kumar, Pooja Basera, Shikha Saini +1
TiO and SrTiO are well known materials in the field of photocatalysis due to their exceptional electronic structure, high chemical stability, non-toxicity and low cost. How…