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Equibiaxial Strained Oxygen Adsorption on Pristine Graphene, Nitrogen/Boron Doped Graphene, and Defected Graphene

We report first-principles calculations on the structural, mechanical, and electronic properties of O(2) molecule adsorption on different graphenes (including pristine graphene (G–O(2)), N(nitrogen)/B(boron)-doped graphene (G–N/B–O(2)), and defective graphene (G–D–O(2))) under equibiaxial strain. Ou...

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Dettagli Bibliografici
Pubblicato in:Materials (Basel)
Autori principali: Qu, Li-Hua, Fu, Xiao-Long, Zhong, Chong-Gui, Zhou, Peng-Xia, Zhang, Jian-Min
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI 2020
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7684466/
https://ncbi.nlm.nih.gov/pubmed/33158010
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma13214945
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