Mechanistic exploration of furfural hydrogenation on copper surface in aqueous phase by DFT and AIMD simulations

Autor:	Zhen Yao, Guang-Jie Xia, Wei Cao, Ke-Han Zeng, Yang-Gang Wang
Rok vydání:	2023
Předmět:	Physical and Theoretical Chemistry Catalysis
Zdroj:	Journal of Catalysis. 418:1-12
ISSN:	0021-9517
DOI:	10.1016/j.jcat.2022.12.024
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::0547db4fbf871a92c11c4fd53262da03 https://doi.org/10.1016/j.jcat.2022.12.024 Zobrazit plný text záznamu Full Text from ScienceDirect