Phuti E. Ngoepe - Search Results

Year	Number of Results
2005	1
2009	2
2010	1
2011	1
2015	1
2017	1
2018	1
2020	1
2021	1
2022	4
2024	0

1

Reconstruction of Cooperite (PtS) Surfaces: A DFT-D+U Study.

Mkhonto PP, Ngoepe PE. Mkhonto PP, et al. Among authors: ngoepe pe. ACS Omega. 2022 Nov 24;7(48):43390-43410. doi: 10.1021/acsomega.2c02867. eCollection 2022 Dec 6. ACS Omega. 2022. PMID: 36506214 Free PMC article.

2

Periodic modeling of zeolite Ti-LTA.

Hernandez-Tamargo CE, Roldan A, Ngoepe PE, de Leeuw NH. Hernandez-Tamargo CE, et al. Among authors: ngoepe pe. J Chem Phys. 2017 Aug 21;147(7):074701. doi: 10.1063/1.4998296. J Chem Phys. 2017. PMID: 28830187 Free article.

3

Analysing the Implications of Charging on Nanostructured Li₂MnO₃ Cathode Materials for Lithium-Ion Battery Performance.

Mogashoa T, Ledwaba RS, Ngoepe PE. Mogashoa T, et al. Materials (Basel). 2022 Aug 18;15(16):5687. doi: 10.3390/ma15165687. Materials (Basel). 2022. PMID: 36013826 Free PMC article.

4

First-Principles Study on the Effect of Lithiation in Spinel Li_xMn₂O₄ (0 ≤ x ≤ 1) Structure: Calibration of CASTEP and ONETEP Simulation Codes.

Hlungwani D, Ledwaba RS, Ngoepe PE. Hlungwani D, et al. Materials (Basel). 2022 Aug 18;15(16):5678. doi: 10.3390/ma15165678. Materials (Basel). 2022. PMID: 36013814 Free PMC article.

5

Generating MnO2 nanoparticles using simulated amorphization and recrystallization.

Sayle TX, Catlow CR, Maphanga RR, Ngoepe PE, Sayle DC. Sayle TX, et al. Among authors: ngoepe pe. J Am Chem Soc. 2005 Sep 21;127(37):12828-37. doi: 10.1021/ja0434073. J Am Chem Soc. 2005. PMID: 16159276

6

Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li_1-xMn₂O₄ spinel (0.000 < x < 0.375): a DFT+U-D3 study.

Ramogayana B , Santos-Carballal D , Aparicio PA , Quesne MG , Maenetja KP , Ngoepe PE , de Leeuw NH . Ramogayana B , et al. Among authors: ngoepe pe. Phys Chem Chem Phys. 2020 Mar 28;22(12):6763-6771. doi: 10.1039/c9cp05658k. Epub 2020 Mar 13. Phys Chem Chem Phys. 2020. PMID: 32168369 Free article.

7

Density Functional Theory Study of Ethylene Carbonate Adsorption on the (0001) Surface of Aluminum Oxide α-Al₂O₃.

Ramogayana B, Santos-Carballal D, Maenetja KP, de Leeuw NH, Ngoepe PE. Ramogayana B, et al. Among authors: ngoepe pe. ACS Omega. 2021 Oct 29;6(44):29577-29587. doi: 10.1021/acsomega.1c03771. eCollection 2021 Nov 9. ACS Omega. 2021. PMID: 34778629 Free PMC article.

8

Origin of electrochemical activity in nano-Li2MnO3; stabilization via a 'point defect scaffold'.

Sayle TX, Caddeo F, Monama NO, Kgatwane KM, Ngoepe PE, Sayle DC. Sayle TX, et al. Among authors: ngoepe pe. Nanoscale. 2015 Jan 21;7(3):1167-80. doi: 10.1039/c4nr05551a. Nanoscale. 2015. PMID: 25486438 Free article.

9

Unravelling the Catalytic Activity of MnO₂, TiO₂, and VO₂ (110) Surfaces by Oxygen Coadsorption on Sodium-Adsorbed MO₂ {M = Mn, Ti, V}.

Maenetja KP, Ngoepe PE. Maenetja KP, et al. Among authors: ngoepe pe. ACS Omega. 2022 Jul 18;7(30):25991-25998. doi: 10.1021/acsomega.1c05990. eCollection 2022 Aug 2. ACS Omega. 2022. PMID: 35936399 Free PMC article.

10

Thermodynamically accessible titanium clusters Ti_N, N = 2-32.

Lazauskas T , Sokol AA , Buckeridge J , Catlow CRA , Escher SGET , Farrow MR , Mora-Fonz D , Blum VW , Phaahla TM , Chauke HR , Ngoepe PE , Woodley SM . Lazauskas T , et al. Among authors: ngoepe pe. Phys Chem Chem Phys. 2018 May 23;20(20):13962-13973. doi: 10.1039/c8cp00406d. Phys Chem Chem Phys. 2018. PMID: 29744486

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