Journal Article
Catalysis Science & Technology, vol. 11, iss. 9, pp. 3279-3294, 2021
Authors
Guowen Peng, Lang Xu, Vassiliki-Alexandra Glezakou, Manos Mavrikakis
Abstract
Planewave density functional theory (DFT-PW91) calculations are employed to study the methanol synthesis through CO2 and CO hydrogenation, as well as the two side reactions: the water gas shift (WGS) reaction and the formic acid formation, on Ni(110).
English