Volume 8, Issue 11 | MRS Advances

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Volume 8, Issue 11

August 2023

African Materials Research Society 2022

8 articles in this issue

Realizing the potentials of density functional theory (DFT) and of the materials genome initiative (MGI)
Diola Bagayoko
Yacouba Issa Diakité
Original Paper Open access 21 April 2023 Pages: 619 - 625
Catalytic degradation and reforming pathways of guaiacol (lignin monomer) on Ru and Ni modified Cu (111)
Caroline R. Kwawu
Destiny Konadu
Evans Adei
Original Paper 17 May 2023 Pages: 626 - 639
Ab-initio computation of structural, elastic, mechanical and optical properties of Cs₂ScAgI₆ double perovskite semiconductor compound
Robinson Musembi
Mwende Mbilo
Original Paper 25 May 2023 Pages: 640 - 644
First-principles study of Ti₅₀Ru_50-xY_x (Y = Ni, Pd and Pt) with a prospect to induce SME on stable CsCl-type Ti₅₀Ru₅₀ phase
B. S. Ngobe
M. J. Phasha
I. A. Mwamba
Original Paper Open access 31 May 2023 Pages: 645 - 650
A computational study of the thermodynamic and magnetic properties of Co-alloyed MnPt
R. G. Diale
P. E. Ngoepe
H. R. Chauke
Original Paper Open access 31 May 2023 Pages: 651 - 655
Theoretical study of chemical reactivity descriptors of some repurposed drugs for COVID-19
Razieh Morad
Mahmood Akbari
Malik Maaza
Original Paper Open access 31 May 2023 Pages: 656 - 660
The effect of ternary additions on the structural and mechanical properties of B2 phase FeCo magnetic alloy
Tebogo Ledwaba
Ramogohlo Diale
Hasani Chauke
Original Paper Open access 28 June 2023 Pages: 661 - 665
Stability, electronic and structural properties of aluminene from first-principles calculations
Pape Sene
Allé Dioum
Aboubaker Chédikh Beye
Original Paper 03 August 2023 Pages: 666 - 680