Structural, electronic, and Li-ion adsorption properties of PolyPyGY explored by first-principles and machine learning simulations: A new multi-ringed 2D carbon allotrope
K. A. L. LimaComputational Materials Laboratory, LCCMat, Institute of Physics, University of Brasília, 70910-900, Brasília, BrazilD. A. da SilvaProfessional Postgraduate Program in Electrical Engineering (PPEE), Department of Electrical Engineering, College of Technology, University of Brasília, Brasília, Federal District, BrazilGeorges Daniel Amvame NzeProfessional Postgraduate Program in Electrical Engineering (PPEE), Department of Electrical Engineering, College of Technology, University of Brasília, Brasília, Federal District, BrazilFábio Lúcio Lópes de MendonçaProfessional Postgraduate Program in Electrical Engineering (PPEE), Department of Electrical Engineering, College of Technology, University of Brasília, Brasília, Federal District, BrazilMarcelo Lopes PereiraUniversity of Brasília, College of Technology, Department of Electrical Engineering, University of Brasília, 70919-970, Brasília, DF, BrazilLuiz Antônio RibeiroComputational Materials Laboratory, LCCMat, Institute of Physics, University of Brasília, 70910-900, Brasília, Brazil
2025en
ABI
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