Exploring the Phase Stability of Li 2 Mn 1- x TM x O 3 (TM = Ni, Co, Cr, Ru) Cathode Materials in Lithium-Ion Batteries via the Cluster Expansion Method.

Autor: Mphahlele MG; Materials Modelling Centre, University of Limpopo, Private Bag X1106, Sovenga 0727, South Africa., Masedi MC; Materials Modelling Centre, University of Limpopo, Private Bag X1106, Sovenga 0727, South Africa., Malatji KT; Materials Modelling Centre, University of Limpopo, Private Bag X1106, Sovenga 0727, South Africa., Ngoepe PE; Materials Modelling Centre, University of Limpopo, Private Bag X1106, Sovenga 0727, South Africa., Ledwaba RS; Materials Modelling Centre, University of Limpopo, Private Bag X1106, Sovenga 0727, South Africa.

Publikováno v: ACS omega [ACS Omega] 2024 May 22; Vol. 9 (22), pp. 23400-23409. Date of Electronic Publication: 2024 May 22 (Print Publication: 2024).

Analysing the Implications of Charging on Nanostructured Li 2 MnO 3 Cathode Materials for Lithium-Ion Battery Performance.

Autor: Mogashoa T; Materials Modelling Centre, University of Limpopo, Private Bag X 1106, Sovenga 0727, South Africa., Ledwaba RS; Materials Modelling Centre, University of Limpopo, Private Bag X 1106, Sovenga 0727, South Africa., Ngoepe PE; Materials Modelling Centre, University of Limpopo, Private Bag X 1106, Sovenga 0727, South Africa.

Publikováno v: Materials (Basel, Switzerland) [Materials (Basel)] 2022 Aug 18; Vol. 15 (16). Date of Electronic Publication: 2022 Aug 18.

Pressure-dependent band gap engineering with structural, electronic, mechanical, optical, and thermal properties of CsPbBr 3 : first-principles calculations.

Autor: Ahmad RB; Department of Physics, Faculty of Nano Science and Technology, University of Engineering and Technology, Lahore, Pakistan. bilal203432@gmail.com., Anwar AW; Department of Physics, Faculty of Nano Science and Technology, University of Engineering and Technology, Lahore, Pakistan., Ali A; Department of Physics, Faculty of Nano Science and Technology, University of Engineering and Technology, Lahore, Pakistan., Fatima T; Department of Physics, Faculty of Nano Science and Technology, University of Engineering and Technology, Lahore, Pakistan., Moin M; Department of Physics, Faculty of Nano Science and Technology, University of Engineering and Technology, Lahore, Pakistan., Nazir A; Department of Physics, Faculty of Nano Science and Technology, University of Engineering and Technology, Lahore, Pakistan., Batool A; Department of Physics, Faculty of Nano Science and Technology, University of Engineering and Technology, Lahore, Pakistan., Shabir U; Department of Physics, Faculty of Nano Science and Technology, University of Engineering and Technology, Lahore, Pakistan.

Publikováno v: Journal of molecular modeling [J Mol Model] 2024 Jul 17; Vol. 30 (8), pp. 270. Date of Electronic Publication: 2024 Jul 17.