https://iochem-bd.bsc.es/browse/handle/100/314001 O_-MoO3-x 2026-04-07T18:49:28Z https://iochem-bd.bsc.es/browse/handle/100/314012 Title: O_-MoO2_95 Authors: Guan, Xiaoxi Description: O'-MoO2.95, in 4*1*4 supercell of O'-MoO3, 3VOs are removed, the relative energy is nearly the same as that of alpha-MoO2.95 (see alpha-MoO2_95) 2023-11-11T18:53:22Z https://iochem-bd.bsc.es/browse/handle/100/314011 Title: 1VOinO_-MoO3 Authors: Guan, Xiaoxi Description: 1VO1 in the 4*1*4 supercell of O'-MoO3 2023-11-11T18:53:19Z https://iochem-bd.bsc.es/browse/handle/100/314010 Title: 1VOinO_-MoO3_2 Authors: Guan, Xiaoxi Description: The difference with the calculation 1VOinO_-MoO3: the atoms in another bilayer are fixed to get the right formation energy. 2023-11-11T18:53:13Z https://iochem-bd.bsc.es/browse/handle/100/314009 Title: 2VOinO_-MoO3 Authors: Guan, Xiaoxi Description: 2VO1 in the 4*1*4 supercell of O'-MoO3 2023-11-11T18:53:09Z