Surface modification of tungsten oxide by oxygen vacancies for hydrogen adsorption
Journal of Materials Science & Technology(2022)
摘要
•A model was developed to quantify the hydrogen adsorption of tungsten oxide.•Effect of oxygen vacancies on surface activity was disclosed by calculations.•Mechanisms of surface modification for enhancement of H adsorption were revealed.•A new approach was proposed to design excellent gas-sensitive metal oxide materials.
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关键词
Metal oxide,Gas-sensitive material,Surface adsorption,Oxygen vacancy,First-principles calculation
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