Influence of hydrogen spillover on Pt-decorated carbon nanocones for enhancing hydrogen storage capacity: A DFT mechanistic study

• المؤلفون الرئيسيون: Nuttapon Yodsin, Chompoonut Rungnim, Vinich Promarak, Supawadee Namuangruk, Nawee Kungwan, Rattanawalee Rattanawan, Siriporn Jungsuttiwong
• التنسيق: دورية
• منشور في: 2018
• الموضوعات: Chemistry; Physics and Astronomy
• الوصول للمادة أونلاين: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85052148565&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/58479
• المؤسسة: Chiang Mai University

© 2018 the Owner Societies. We used density functional theory (DFT) to investigate hydrogen adsorption and diffusion on platinum-decorated carbon nanocones (Pt-CNCs). The curvature presented in the conical section of CNC materials affects the Pt binding stability. The role of Pt atoms as an active c...