DFT calculation of AsH3 adsorption and dissociation on Ni- and Cu-doped graphene-Reference-Cited by-同舟云学术

DFT calculation of AsH3 adsorption and dissociation on Ni- and Cu-doped graphene

Published:2019-11-25 Issue:12 Volume:25 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Li Yuan,Li Kai,Sun Xin,Song Xin,Sun Huaying,Ning Ping^ORCID

Funder

National Natural Science Foundation of China

Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-019-4227-9.pdf

Reference42 articles.

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3. Hu L, Wang X, Yu G, Wang F, Yu Z (2008) Study of the characteristics of methanol synthesis in a recirculation slurry reactor - a novel three-phase synthesis reactor. Chem Eng Technol 31(1):33–37. https://doi.org/10.1002/ceat.200700081

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5. Quinn R, Mebrahtu T, Dahl TA, Lucrezi FA, Toseland BA (2004) The role of arsine in the deactivation of methanol synthesis catalysts. Appl Catal A Gen 264(1):103–109. https://doi.org/10.1016/j.apcata.2003.12.034

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