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ACS Omega|December 12, 2022
Reconstruction of Cooperite (PtS) Surfaces: A DFT-D+U StudyPeace P Mkhonto, Phuti E NgoepeACS Omega|August 8, 2022
Unravelling the Catalytic Activity of MnO<sub>2</sub>, TiO<sub>2</sub>, and VO<sub>2</sub> (110) Surfaces by Oxygen Coadsorption on Sodium-Adsorbed MO<sub>2</sub> {M = Mn, Ti, V}Khomotso P Maenetja, Phuti E NgoepeACS Nano|October 28, 2009
Simulating mechanical deformation in nanomaterials with application for energy storage in nanoporous architecturesThi X T Sayle, Phuti E Ngoepe, Dean C SayleJournal of the American Chemical Society|February 12, 2009
Predicting the electrochemical properties of MnO2 nanomaterials used in rechargeable li batteries: simulating nanostructure at the atomistic levelThi X T Sayle, R Rapela Maphanga, Phuti E Ngoepe, et al.The Journal of Chemical Physics|August 24, 2017
Periodic modeling of zeolite Ti-LTACarlos E Hernandez-Tamargo, Alberto Roldan, Phuti E Ngoepe, et al.Physical Chemistry Chemical Physics : PCCP|December 1, 2010
Amorphization and recrystallization study of lithium insertion into manganese dioxideRapela R Maphanga, Dean C Sayle, Thi X T Sayle, et al.ACS Omega|November 15, 2021
Density Functional Theory Study of Ethylene Carbonate Adsorption on the (0001) Surface of Aluminum Oxide α-Al<sub>2</sub>O<sub>3</sub>Brian Ramogayana, David Santos-Carballal, Khomotso P Maenetja, et al.Journal of the American Chemical Society|September 15, 2005
Generating MnO2 nanoparticles using simulated amorphization and recrystallizationThi X T Sayle, C Richard A Catlow, R Regina Maphanga, et al.Interface Focus|August 12, 2024
Materials modelling in the University of LimpopoPhuti E Ngoepe, Alan V Chadwick, Happy M Sithole, et al.Nanoscale|December 9, 2014
Origin of electrochemical activity in nano-Li2MnO3; stabilization via a 'point defect scaffold'Thi X T Sayle, Francesco Caddeo, Nkwe O Monama, et al.Pageof 2