A DFT study of the selective adsorption of XO2 (X = C, S or N) on Ta-doped graphene

Publication date: 15 November 2020Source: Computational and Theoretical Chemistry, Volume 1190Author(s): Na Wang, Shulin Yang, Zhigao Lan, Huoxi Xu, Zhao Wang, Yongming Hu, Haoshuang Gu

Source: Computational and Theoretical Chemistry - September 5, 2020 Category: Chemistry Source Type: research