Tracing the reactivity of single atom alloys for ethanol dehydrogenation using ab initio simulations-Reference-Cited by-同舟云学术

Tracing the reactivity of single atom alloys for ethanol dehydrogenation using ab initio simulations

Published:2022 Issue:1 Volume:7 Page:61-75
ISSN:2058-9883
Container-title:Reaction Chemistry & Engineering
language:en
Short-container-title:React. Chem. Eng.

Author:

Iyer Jayendran¹^ORCID,Jalid Fatima²^ORCID,Khan Tuhin S.³^ORCID,Haider M. Ali¹^ORCID

Affiliation:

1. Renewable Energy and Chemicals Laboratory, Department of Chemical Engineering, Indian Institute of Technology Delhi, Hauz Khas, Delhi, 110016, India

2. Department of Chemical Engineering, National Institute of Technology Srinagar, Srinagar, Jammu and Kashmir, 190006, India

3. Light Stock Processing Division, CSIR-Indian Institute of Petroleum, Dehradun, Uttarakhand, 248005, India

Abstract

A full DFT parameterized MKM is used to accurately predict the reactivity trend for ethanol dehydrogenation reaction on SAAs.

Funder

Department of Science and Technology, Ministry of Science and Technology, India

Publisher

Royal Society of Chemistry (RSC)

Subject

Fluid Flow and Transfer Processes,Process Chemistry and Technology,Chemical Engineering (miscellaneous),Chemistry (miscellaneous),Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RE/D1RE00396H

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4. Synergistic Effect of Zn in a Bimetallic PdZn Catalyst: Elucidating the Role of Undercoordinated Sites in the Hydrodeoxygenation Reactions of Biorenewable Platforms

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