A DFT study of arsine adsorption on palladium doped graphene: Effects of palladium cluster size

• المؤلفون الرئيسيون: Kunaseth M., Mudchimo T., Namuangruk S., Kungwan N., Promarak V., Jungsuttiwong S.
• التنسيق: دورية
• منشور في: 2017
• الوصول للمادة أونلاين: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84960153876&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/42013
• المؤسسة: Chiang Mai University

© 2016 Elsevier B.V. All rights reserved. In this study, we have investigated the size effects of palladium (Pd) doped single-vacancy defective graphene (SDG) surface to the adsorption of AsH 3 and its dehydrogenated products on Pd using density functional theory calculations. Here, Pd cluster bind...