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662 积分 2025-07-15 加入
Two-Dimensional AlN/PtSSe Heterojunction as A Direct Z-Scheme Photocatalyst for Overall Water Splitting: A DFT Study
1天前
已完结
First-principles study of structural, electronic and vibrational properties of bulk and monolayer TiS2
18天前
已完结
Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition‐Metal Substitution
19天前
已完结
Computational Insights on Structural Sensitivity of Cobalt in NO Electroreduction to Ammonia and Hydroxylamine
20天前
已完结
A DFT study of the electronic structures and optical properties of (Cr, C) co-doped rutile TiO2
20天前
已完结
First-principles study of structural, electronic, and optical properties of the rutile TiO2(011)-2×1 surface
20天前
已完结
Water Oxidation on TiO2: A Comparative DFT Study of 1e–, 2e–, and 4e– Processes on Rutile, Anatase, and Brookite
23天前
已完结
Rational design of high-performance TiO2-B-based electrocatalysts for the oxygen evolution reaction: A DFT study on transition metal doping and electronic structure modulation
23天前
已完结
Electronic structures and optical properties of rutile TiO2 with different point defects from DFT+U calculations
30天前
已完结
Application of Li-LSX adsorbents in plateau regions: Suppressing excess O2 adsorption and N2 breakthrough for enhanced oxygen production
1个月前
已完结
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