Nitric oxide oxidation on warped nanographene (C<inf>80</inf>H<inf>30</inf>): a DFT study

• المؤلفون الرئيسيون: Thantip Roongcharoen, Nawee Kungwan, Rathawat Daengngern, Chanchai Sattayanon, Supawadee Namuangruk
• التنسيق: دورية
• منشور في: 2019
• الموضوعات: Chemistry
• الوصول للمادة أونلاين: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85059647401&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/63617
• المؤسسة: Chiang Mai University

© 2019, Springer-Verlag GmbH Germany, part of Springer Nature. The possible use of the recently synthesized warped nanographene C80H30 for NO oxidation by O2 molecule has been investigated using density functional theory. The reaction starts with the adsorption and dissociation of O2 molecule on the...