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1

Calculated cell discharge curve for lithium batteries with a V2O5 cathode

Braithwaite, J. Spencer, Catlow, C. Richard A., Gale, Julian D., Harding, John H., Ngoepe, Phuti E.

Journal:

Journal of Materials Chemistry

Year:

2000

Language:

english

File:

PDF, 84 KB

english, 2000

2

First Principle Study of Ti50Al50 Alloys

Modiba, Rosinah, Chauke, Hasani, Ngoepe, Phuti

Journal:

Key Engineering Materials

Year:

2018

Language:

english

File:

PDF, 726 KB

english, 2018

3

Evolving microstructure in MnO2 using amorphisation and recrystallisation

Thi X.T. Sayle, C. Richard A. Catlow, R. Rapella. Maphanga, Phuti E. Ngoepe, Dean C. Sayle

Journal:

Journal of Crystal Growth

Year:

2006

Language:

english

File:

PDF, 4.59 MB

english, 2006

4

A computer modelling study of the interaction of organic adsorbates with fluorapatite surfaces

Donald Mkhonto, Phuti E. Ngoepe, Timothy G. Cooper, Nora H. de Leeuw

Journal:

Physics and Chemistry of Minerals

Year:

2006

Language:

english

File:

PDF, 750 KB

english, 2006

5

Nanoscale coatings of AuAlx and PtAlx and their mesoporous elemental derivatives

Michael B. Cortie, Abbas Maaroof, Geoffrey B. Smith, Phuti Ngoepe

Journal:

Current Applied Physics

Year:

2006

Language:

english

File:

PDF, 148 KB

english, 2006

6

Generating MnO2 Nanoparticles Using Simulated Amorphization and Recrystallization

Sayle, Thi X. T., Catlow, C. Richard A., Maphanga, R. Regina, Ngoepe, Phuti E., Sayle, Dean C.

Journal:

Journal of the American Chemical Society

Year:

2005

File:

PDF, 15 KB

2005

7

Generating structural distributions of atomistic models of Li2O nanoparticles using simulated crystallisation

Sayle, Thi X. T., Ngoepe, Phuti E., Sayle, Dean C.

Journal:

Journal of Materials Chemistry

Year:

2010

Language:

english

File:

PDF, 641 KB

english, 2010

8

Predicting the Electrochemical Properties of MnO 2 Nanomaterials Used in Rechargeable Li Batteries: Simulating Nanostructure at the Atomistic Level

Sayle, Thi X. T., Maphanga, R. Rapela, Ngoepe, Phuti E., Sayle, Dean C.

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 1.36 MB

english, 2009

9

The Displacive Phase Transition of Vanadium Dioxide and the Effect of Doping with Tungsten

Netsianda, Makondelele, Ngoepe, Phuti E., Catlow, C. Richard A., Woodley, Scott M.

Journal:

Chemistry of Materials

Year:

2008

Language:

english

File:

PDF, 1.23 MB

english, 2008

10

Guest Editorial

Ngoepe, Phuti E

Journal:

Molecular Simulation

Year:

1998

Language:

english

File:

PDF, 64 KB

english, 1998

11

Electronic Structure and Redox Properties of the Ti-Doped Zirconia (111) Surface

Chauke, Hasani R., Murovhi, Phathutshedzo, Ngoepe, Phuti E., de Leeuw, Nora H., Grau-Crespo, Ricardo

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 1.90 MB

english, 2010

12

Lithium and oxygen adsorption at the β-MnO2 (110) surface

Mellan, Thomas A., Maenetja, Khomotso P., Ngoepe, Phuti E., Woodley, Scott M., Catlow, C. Richard A., Grau-Crespo, Ricardo

Journal:

Journal of Materials Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.29 MB

english, 2013

13

Origin of electrochemical activity in nano-Li 2 MnO 3 ; stabilization via a ‘point defect scaffold’

Sayle, Thi X. T., Caddeo, Francesco, Monama, Nkwe O., Kgatwane, Kenneth M., Ngoepe, Phuti E., Sayle, Dean C.

Journal:

Year:

2015

Language:

english

File:

PDF, 7.09 MB

english, 2015

14

Negative compressibility in platinum sulfide using density-functional theory

Marmier, Arnaud, Ntoahae, Petros S., Ngoepe, Phuti E., Pettifor, David G., Parker, Stephen C.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 286 KB

english, 2010

15

Foreword

Coinins, Darrell, Ngoepe, Phuti, Davidson, Allan

Journal:

Radiation Effects and Defects in Solids

Year:

2001

Language:

english

File:

PDF, 125 KB

english, 2001

16

Simulating Mechanical Deformation in Nanomaterials with Application for Energy Storage in Nanoporous Architectures

Sayle, Thi X. T., Ngoepe, Phuti E., Sayle, Dean C.

Journal:

Year:

2009

Language:

english

File:

PDF, 7.06 MB

english, 2009

17

Foreword

Coinins, Darrell, Ngoepe, Phuti, Davidson, Allan

Journal:

Radiation Effects and Defects in Solids

Year:

2001

Language:

english

File:

PDF, 124 KB

english, 2001

18

Guest Editorial

Ngoepe, Phuti E

Journal:

Molecular Simulation

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

19

Structure of Surface Entrance Sites for Li Intercalation into TiO 2 Nanoparticles, Nanosheets, and Mesoporous Architectures with Application for Li-Ion Batteries

Matshaba, Malili G., Sayle, Dean C., Sayle, Thi X. T., Ngoepe, Phuti E.

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.21 MB

english, 2016

20

Foreword

Comins, Darrell, Ngoepe, Phuti, Davidson, Allan

Journal:

Radiation Effects and Defects in Solids

Year:

2001

Language:

english

File:

PDF, 259 KB

english, 2001

21

Electrical Characterization of Defects Introduced in n-Type N-Doped 4H-SiC during Electron Beam Exposure

Omotoso, Ezekiel, Meyer, Walter Ernst, Auret, Francois Danie, Martins Coelho, Sergio Manuel, Ngoepe, Phuti Ngako Mahloka

Journal:

Solid State Phenomena

Year:

2015

Language:

english

File:

PDF, 748 KB

english, 2015

22

Periodic modeling of zeolite Ti-LTA

Hernandez-Tamargo, Carlos E., Roldan, Alberto, Ngoepe, Phuti E., de Leeuw, Nora H.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 8.54 MB

english, 2017

23

spinel

Santos-Carballal, David, Ngoepe, Phuti E., de Leeuw, Nora H.

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 5.07 MB

english, 2018

24

Advances in Ti-Based Systems as High Temperature Shape Memory Alloys

Chauke, Hasani, Mashamaite, Mordecai, Modiba, Rosinah, Ngoepe, Phuti

Journal:

Key Engineering Materials

Year:

2018

Language:

english

File:

PDF, 738 KB

english, 2018

25

Discharge induced structural variation of simulated bulk Li1+xMn2O4 (0 ≤ x ≤ 1)

Shibiri, Beauty, Ledwaba, Raesibe S., Ngoepe, Phuti E.

Journal:

Optical Materials

Year:

2019

Language:

english

File:

PDF, 2.03 MB

english, 2019

26

Discharge induced structural variation of simulated bulk Li1+xMn2O4 (0 ≤ x ≤ 1)

Shibiri, Beauty, Ledwaba, Raesibe S., Ngoepe, Phuti E.

Journal:

Optical Materials

Year:

2019

File:

PDF, 2.03 MB

2019

27

First-principles study: Effect of lithium and sodium intercalation in transition metal phosphates, MPO4 (M: Mn, Fe, Co)

Lethole, Ndanduleni Lesley, Ngoepe, Phuti Esrom, Chauke, Hasani Richard

Journal:

Computational Condensed Matter

Year:

2020

Language:

english

File:

PDF, 2.04 MB

english, 2020

28

Atomistic Simulation and Characterisation of Spinel Li 1+x Mn 2 O 4 (0≤x≤1) Nanoparticles.

Ledwaba, Raesibe Sylvia, Sayle, Dean Christopher, Ngoepe, Phuti Esrom

Journal:

ACS Applied Energy Materials

Year:

2020

Language:

english

File:

PDF, 1.82 MB

english, 2020

29

Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li 1âx Mn 2 O 4 spinel (0.000 < x < 0.375): a DFT+U-D3 study

Ramogayana, Brian, Santos-Carballal, David, Aparicio Sanchez, Pablo Arturo, Quesne, Matthew, Maenetja, Khomotso Portia, Ngoepe, Phuti Esrom, De Leeuw, Nora Henriette

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 2.74 MB

2020

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