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Hydrogen storage capacity and reversibility of BC3N2 monolayers with and without Li decoration insights from first-principles methods

Mengting ZhaoSchool of Physics and Engineering, Henan University of Science and Technology, Luoyang, 471023, ChinaYongliang YongAdvanced Materials Science Innovation Center, Longmen Laboratory, Luoyang, 471003, ChinaQihua HouSchool of Physics and Engineering, Henan University of Science and Technology, Luoyang, 471023, ChinaXiaobo YuanSchool of Physics and Engineering, Henan University of Science and Technology, Luoyang, 471023, ChinaXinli LiAdvanced Materials Science Innovation Center, Longmen Laboratory, Luoyang, 471003, ChinaXiao‐Hong LiAdvanced Materials Science Innovation Center, Longmen Laboratory, Luoyang, 471003, China
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