Sumanene: an efficient π-bowl for dihydrogen storage
Author:
Affiliation:
1. Chemical Sciences and Technology Division, CSIR – National Institute for Interdisciplinary Science and Technology
2. Thiruvananthapuram
3. India
4. Academy of Scientific & Innovative Research (AcSIR)
Abstract
The outstanding ability of sumanene, its anionic and dianionic forms and sumanene–M+ion-pair complexes (M = Li, Na, K) to bind dihydrogen has been revealed using density functional theory calculations pointing out that these systems could be employed for developing new H2storage systems.
Funder
Council of Scientific and Industrial Research
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP07000D
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