Guanidine as a strong CO2 adsorbent: a DFT study on cooperative CO2 adsorption
Author:
Affiliation:
1. Chemical Sciences and Technology Division, CSIR-National Institute for Interdisciplinary Science and Technology
2. Thiruvananthapuram
3. India
4. Academy of Scientific and Innovative Research (AcSIR)
5. Ghaziabad 201002
Abstract
Transformation of the non-covalent G⋯CO2 complex into a G–CO2 covalent complex in (G–CO2)n clusters with a fivefold increase in ΔE/CO2 is reported.
Funder
University Grants Commission
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP00754H
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