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51

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

52

Solid-state transformation in nanocrystalline Ti induced by ball milling

M.J. Phasha, A.S. Bolokang, P.E. Ngoepe

Journal:

Materials Letters

Year:

2010

Language:

english

File:

PDF, 263 KB

english, 2010

53

Characterization of AlGaN-based metal–semiconductor solar-blind UV photodiodes with IrO2 Schottky contacts

L. van Schalkwyk, W.E. Meyer, F.D. Auret, J.M. Nel, P.N.M. Ngoepe, M. Diale

Journal:

Physica B: Condensed Matter

Year:

2012

Language:

english

File:

PDF, 334 KB

english, 2012

54

Optoelectronic characterization of Au/Ni/n-AlGaN photodiodes after annealing at different temperatures

P.N.M. Ngoepe, W.E. Meyer, M. Diale, F.D. Auret, L. van Schalkwyk

Journal:

Physica B: Condensed Matter

Year:

2012

Language:

english

File:

PDF, 431 KB

english, 2012

55

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

56

Brillouin scattering investigation of the rare-earth fluorides at high temperatures

P.E. Ngoepe, J.D. Comins

Journal:

Journal of the Less Common Metals

Year:

1989

Language:

english

File:

PDF, 379 KB

english, 1989

57

Theoretical investigation of the Pt3Al ground state

H.R. Chauke, B. Minisini, R. Drautz, D. Nguyen-Manh, P.E. Ngoepe, D.G. Pettifor

Journal:

Year:

2010

Language:

english

File:

PDF, 584 KB

english, 2010

58

Link between structural and mechanical stability of fcc- and bcc-based ordered Mg–Li alloys

M.J. Phasha, P.E. Ngoepe, H.R. Chauke, D.G. Pettifor, D. Nguyen-Mann

Journal:

Year:

2010

Language:

english

File:

PDF, 334 KB

english, 2010

59

An alternative DFT-based model for calculating structural and elastic properties of random binary HCP, FCC and BCC alloys: Mg–Li system as test case

M.J. Phasha, P.E. Ngoepe

Journal:

Year:

2012

Language:

english

File:

PDF, 1.04 MB

english, 2012

60

The spread of canine rabies into Free State province of South Africa: A molecular epidemiological characterization

Chuene Ernest Ngoepe, Claude Sabeta, Louis Nel

Journal:

Year:

2009

Language:

english

File:

PDF, 461 KB

english, 2009

61

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

62

Structural, elastic and electronic properties of equiatomic PtTi as potential high-temperature shape memory alloy

R. Mahlangu, M.J. Phasha, H.R. Chauke, P.E. Ngoepe

Journal:

Year:

2013

Language:

english

File:

PDF, 651 KB

english, 2013

63

Phase transformation and crystal structure of IrTi

Y. Yamabe-Mitarai, T. Hara, M.J. Phasha, P.E. Ngoepe, H.K. Chikwanda

Journal:

Year:

2012

Language:

english

File:

PDF, 987 KB

english, 2012

64

Exafs studies of disorder in CdF 2 -PbF 2 systems

Netshisaulu, T. T., Catlow, C. R. A., Chadwick, A. V., Greavesand, G. N., Ngoepe, P. E.

Journal:

Radiation Effects and Defects in Solids

Year:

1995

Language:

english

File:

PDF, 295 KB

english, 1995

65

Investigation of the superionic behaviour of BaF 2 ( x mol% LaF 3 ) by raman and brillouin scattering and molecular dynamics simulations

Rammutla, K. E., Comins, J. D., Erasmus, R. M., Netshisaulu, T. T., Ngoepe, P. E., Chadwick, A. V.

Journal:

Radiation Effects and Defects in Solids

Year:

2002

Language:

english

File:

PDF, 317 KB

english, 2002

66

Computer modelling and brillouin scattering studies of high temperature disorder in CdF 2

Netshisaulu, T. T., Ngoepe, P. E., Comins, J. D., Catlow, C. R. A.

Journal:

Radiation Effects and Defects in Solids

Year:

1995

Language:

english

File:

PDF, 243 KB

english, 1995

67

Computer Modelling and Exafs Study of the Disorder In Cd 1− x Pb x F 2 Mixed Systems

Netshisaulu, T. T., Ngoepe, P. E., Chadwick, A. V.

Journal:

Molecular Simulation

Year:

1999

Language:

english

File:

PDF, 852 KB

english, 1999

68

Spectroscopic and computer modelling studies of mixed-cation superionic fluorites

Netshisaulu, T T, Chadwick, A V, Ngoepe, P E, Catlow, C R A

Journal:

Journal of Physics Condensed Matter

Year:

2005

Language:

english

File:

PDF, 292 KB

english, 2005

69

Studies of disorder in Cd 1- x Pb x F 2 mixed crystals

Netshisaulu, T. T., Melle-franco, M., Chadwick, A. V., Ngoepe, P. E.

Journal:

Radiation Effects and Defects in Solids

Year:

1999

Language:

english

File:

PDF, 235 KB

english, 1999

70

Correlation of light scattering and molecular dynamics in superionic Ba 1−x La x F 2+x

Rammutla, K. E., Comins, J. D., Netshisaulu, T. T., Ngoepe, P. E., Chadwick, A. V.

Journal:

Radiation Effects and Defects in Solids

Year:

2001

Language:

english

File:

PDF, 211 KB

english, 2001

71

High-temperature elastic constants of yttrium aluminum garnet

Stoddart, P. R., Ngoepe, P. E., Mjwara, P. M., Comins, J. D., Saunders, G. A.

Journal:

Journal of Applied Physics

Year:

1993

Language:

english

File:

PDF, 666 KB

english, 1993

72

Modeling the Surface Structure and Reactivity of Pyrite: Introducing a Potential Model for FeS 2

de Leeuw, N. H., Parker, S. C., Sithole, H. M., Ngoepe, P. E.

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 148 KB

english, 2000

73

Behavior of elastic constants, refractive index, and lattice parameter of cubic zirconia at high temperatures

Botha, P. J., Chiang, J. C. H., Comins, J. D., Mjwara, P. M., Ngoepe, P. E.

Journal:

Journal of Applied Physics

Year:

1993

Language:

english

File:

PDF, 1.08 MB

english, 1993

74

Brillouin scattering investigation of the high temperature diffuse phase transition in Li 2 S

Mjwara, P M, Comins, J D, Ngoepe, P E, Buhrer, W, Bill, H

Journal:

Journal of Physics Condensed Matter

Year:

1991

Language:

english

File:

PDF, 187 KB

english, 1991

75

Structure and properties of ilmenite from first principles

Wilson, N. C., Muscat, J., Mkhonto, D., Ngoepe, P. E., Harrison, N. M.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 557 KB

english, 2005

76

Briullouin scattering in superionic compounds : NdF 3 and CaF 2 (ReF 3 )

Mjwara, P. M., Comins, J. D., Ngoepe, P. E., Chadwick, A. V.

Journal:

Radiation Effects and Defects in Solids

Year:

1991

Language:

english

File:

PDF, 270 KB

english, 1991

77

Optical and electrical characterization of AlGaN based Schottky photodiodes after annealing at different temperatures

Ngoepe, PNM, Meyer, WE, Diale, M, Auret, FD, van Schalkwyk, L

Journal:

Physica B: Condensed Matter

Year:

2014

Language:

english

File:

PDF, 749 KB

english, 2014

78

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

79

Guest Editorial

Ngoepe, Phuti E

Journal:

Molecular Simulation

Year:

1998

Language:

english

File:

PDF, 64 KB

english, 1998

80

Computer Modelling Studies of Elastic and Ion Transport Properties of Yttria Stabilised Cubic Zirconia

Chaba, P. J., Ngoepe, P. E.

Journal:

Molecular Simulation

Year:

1998

Language:

english

File:

PDF, 462 KB

english, 1998

81

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

82

Effects of Local and Gradient-Corrected Density Approximations on the Prediction of the Intralayer Lattice Distance c , in Graphite and LiC 6

Kganyago, K. R., Ngoepe, P. E.

Journal:

Molecular Simulation

Year:

1999

Language:

english

File:

PDF, 991 KB

english, 1999

83

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

84

Brillouin-scattering and computer-simulation studies of fast-ion conductors: a review

Comins, J. D., Ngoepe, P. E., Catlow, C. R. A.

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1990

Language:

english

File:

PDF, 1.22 MB

english, 1990

85

Molecular dynamics study of ion transport in CaF 2 (10 mol % LaF 3 )

Ngoepe, P. E., Catlow+, C. R. A.

Journal:

Radiation Effects and Defects in Solids

Year:

1991

Language:

english

File:

PDF, 235 KB

english, 1991

86

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

87

Personalizing flow-diverter intervention for cerebral aneurysms: from computational hemodynamics to biochemical modeling

Peach, T. W., Ngoepe, M., Spranger, K., Zajarias-Fainsod, D., Ventikos, Y.

Journal:

International Journal for Numerical Methods in Biomedical Engineering

Year:

2014

Language:

english

File:

PDF, 4.28 MB

english, 2014

88

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

89

Voltage profile, structural prediction, and electronic calculations for

Kganyago, K. R., Ngoepe, P. E., Catlow, C. R. A.

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 908 KB

english, 2003

90

and

Chauke, H. R., Nguyen-Manh, D., Ngoepe, P. E., Pettifor, D. G., Fries, S. G.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 671 KB

english, 2002

91

Foreword

Coinins, Darrell, Ngoepe, Phuti, Davidson, Allan

Journal:

Radiation Effects and Defects in Solids

Year:

2001

Language:

english

File:

PDF, 125 KB

english, 2001

92

Electronic Structure of Platinum-Group Minerals: Prediction of Semiconductor Band Gaps

Nguyen-Manh, D., Ntoahae, P. S., Pettifor, D. G., Ngoepe, P. E.

Journal:

Molecular Simulation

Year:

1999

Language:

english

File:

PDF, 425 KB

english, 1999

93

Computer modeling and Brillouin scattering studies of anharmonicity and high-temperature disorder in

Ngoepe, P. E., Jordan, W. M., Catlow, C. R. A., Comins, J. D.

Journal:

Physical Review B

Year:

1990

Language:

english

File:

PDF, 454 KB

english, 1990

94

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

95

Brillouin Scattering Investigations of Cerium Fluoride at High Temperature: A Diffuse Superionic Transition

Ngoepe, P. E., Comins, J. D.

Journal:

Physical Review Letters

Year:

1988

Language:

english

File:

PDF, 579 KB

english, 1988

96

Foreword

Coinins, Darrell, Ngoepe, Phuti, Davidson, Allan

Journal:

Radiation Effects and Defects in Solids

Year:

2001

Language:

english

File:

PDF, 124 KB

english, 2001

97

Guest Editorial

Ngoepe, Phuti E

Journal:

Molecular Simulation

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

98

Computer Modelling of Elastic Properties of LaF 3 Using Free Energy Minimisation Techniques

Ngoepe, P. E., Parker, S. C.

Journal:

Molecular Simulation

Year:

1992

Language:

english

File:

PDF, 303 KB

english, 1992

99

Martensitic Transformation Behaviour of Ti50Pt50-xCox Shape Memory Alloys

Mahlangu, Rosinah, Chauke, Hasani Rich, Ngoepe, P.E.

Journal:

Advanced Materials Research

Year:

2014

Language:

english

File:

PDF, 307 KB

english, 2014

100

Molecular dynamics simulations of spinels: LiMn 2 O 4 and Li 4 Mn 5 O 12 at high temperatures

Ledwaba, R S, Matshaba, M G, Ngoepe, P E

Journal:

IOP Conference Series Materials Science and Engineering

Year:

2015

Language:

english

File:

PDF, 1.17 MB

english, 2015