【作者单位】1 School of Materials Science and Engineering, Chongqing University of Arts and Sciences, Chongqing, 402160, China; 2 Chongqing Key Laboratory of Precision Optics, Chongqing Institute of East China Normal University, Chongqing, 400000, China; 3 Postdoctoral Research Station of Condensed Matter, East China Normal University, Shanghai, 200241, China; 4 College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou, 730030, China; 5 The first and second author contribute equally to the writing of this article.; 6 School of Science and Institute of Oxygen Supply and Everest Research Institute, Tibet University, Lhasa, 850000, China; 7 Department of Biochemistry and Molecular & Cellular Biology, Georgetown University, Washington DC, 20007, United States; 8 School of Chemistry and Molecular Bioscience, University of Wollongong, NSW, 2500, Australia; 9 School of Electronic Information and Electrical Engineering, Chongqing University of Arts and Sciences, Chongqing, 402160, China
【摘要】 The boron-based two-dimensional materials decorated with functional groups NLi 4 has been numerically investigated for hydrogen storage via first principles calculations method. Strain-energy analysis and molecular dynamics simulations shows the pr...
