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A study on hydrogen storage performance of Ti decorated vacancies graphene structure on the first principle

The structural properties, formation energy, adsorption energy, and electronic properties of vacancy graphene are studied by first-principles analysis. We found that the formation energy and adsorption energy of double vacancy graphene (DVG-4) are the largest. A single defect in DVG-4 can adsorb at...

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Detalles Bibliográficos
Autores principales:	Cui, Hong, Zhang, Ying, Tian, Weizhi, Wang, Yazhou, Liu, Tong, Chen, Yunjian, Shan, Pengyue, Yuan, Hongkuan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8697575/ https://www.ncbi.nlm.nih.gov/pubmed/35423956 http://dx.doi.org/10.1039/d1ra00214g

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