The role of Ru doping on the electronic, mechanical and vibrational properties of Li2MnO3 cathode material

Autor: Mphahlele Mamonamane, Masedi Mallang, Malatji Kemeridge, Ngoepe Phuti, Ledwaba Raesibe

Publikováno v: MATEC Web of Conferences, Vol 406, p 06015 (2024)

We present a comprehensive first-principles study of Ru-doped Li2MnO3 cathode material for lithium-ion batteries, utilising hybrid density functional calculations. Ru was chosen due to its ability to enhance cycling stability and structural integrity

Externí odkaz: https://doaj.org/article/17ea6ae7746c486e8154add7ecd66478

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).