Rational Design of 2D h-BAs Monolayer as Advanced Sulfur Host for High Energy Density Li-S Batteries
Journal article, 2020
nudge-elastic band
boron arsenide
adsorption
DFT
lithium polysulfides
shuttle effect
Author
Nabil Khossossi
Uppsala University
Moulay Ismail University
Pritam Kumar Panda
Uppsala University
Deobrat Singh
Uppsala University
Vivekanand Shukla
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Yogendra Kumar Mishra
University of Southern Denmark
Ismail Essaoudi
Moulay Ismail University
Abdelmajid Ainane
Max Planck Inst Phys Complexer Syst
Uppsala University
Moulay Ismail University
Rajeev Ahuja
Royal Institute of Technology (KTH)
Uppsala University
ACS Applied Energy Materials
25740962 (eISSN)
Vol. 3 8 7306-7317Subject Categories
Inorganic Chemistry
Materials Chemistry
Theoretical Chemistry
DOI
10.1021/acsaem.0c00492