Setiau Data Ymchwil (17)

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Unravelling the early oxidation mechanism of zinc phosphide (Zn3P2) surfaces by adsorbed oxygen and water: a first-principles DFT-D3 investigation - Dzade NY (2020). Cardiff University. 10.17035/d.2019.0088117956.
Substitutional doping with Fe of the zinc oxide ZnO(10-10) surfaces - Santos-Carballal D, Cadi-Essadek A-A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0054411689.
Study of NaVOPO4 Polymorphs as Cathode Materials for Na-ion Batteries - Aparicio P A, Dawson J A, Islam M S, de Leeuw N H (2018). Cardiff University. 10.17035/d.2018.0060727953.
Segregation of cobalt from PtCo nanoparticles: the case of Au doping and core AuCo alloying - data - Farkas B, de Leeuw NH (2020). Cardiff University. 10.17035/d.2020.0107653692.
Partial oxidation of greigite Fe₃S₄(001) surface by water - Santos Carballal D, Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008121157.
Mixing thermodynamics and electronic structure of the Pt₁₋ₓNiₓ (0 ≤ x ≤ 1) bimetallic alloy - Botha LM, Santos-Carballal D, Terranova U, Quesne MG, Ungerer MJ, van Sittert CGCE, de Leeuw NH (2019). Cardiff University. 10.17035/d.2018.0056690949.
Methanol formation from CO2 catalyzed by Fe3S4{111}: formate versus hydrocarboxyl pathways - Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008385635.
Kinetic model of water adsorption, clustering and dissociation on Fe3S4{001} - Roldan A, de Leeuw NH (2017). Cardiff University. 10.17035/d.2016.0010313665.
First–principles Investigation of the Structural, Elastic, Electronic, and Optical Properties of α– and β–SrZrS3: Implications for Photovoltaic Applications - Eya HI, Ntsoenzok E, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0099250231.
Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1-xMn2O4 spinel (0.000 < x < 0.375) - data - Ramogayana B, Santos Carballal D, Aparicio Sanchez P, Quesne M, Maenetja KP, Ngoepe PE, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0085116020.

Unravelling the early oxidation mechanism of zinc phosphide (Zn3P2) surfaces by adsorbed oxygen and water: a first-principles DFT-D3 investigation - Dzade NY (2020). Cardiff University. 10.17035/d.2019.0088117956.

Substitutional doping with Fe of the zinc oxide ZnO(10-10) surfaces - Santos-Carballal D, Cadi-Essadek A-A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0054411689.

Study of NaVOPO4 Polymorphs as Cathode Materials for Na-ion Batteries - Aparicio P A, Dawson J A, Islam M S, de Leeuw N H (2018). Cardiff University. 10.17035/d.2018.0060727953.

Segregation of cobalt from PtCo nanoparticles: the case of Au doping and core AuCo alloying - data - Farkas B, de Leeuw NH (2020). Cardiff University. 10.17035/d.2020.0107653692.

Partial oxidation of greigite Fe₃S₄(001) surface by water - Santos Carballal D, Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008121157.

Mixing thermodynamics and electronic structure of the Pt₁₋ₓNiₓ (0 ≤ x ≤ 1) bimetallic alloy - Botha LM, Santos-Carballal D, Terranova U, Quesne MG, Ungerer MJ, van Sittert CGCE, de Leeuw NH (2019). Cardiff University. 10.17035/d.2018.0056690949.

Methanol formation from CO2 catalyzed by Fe3S4{111}: formate versus hydrocarboxyl pathways - Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008385635.

Kinetic model of water adsorption, clustering and dissociation on Fe3S4{001} - Roldan A, de Leeuw NH (2017). Cardiff University. 10.17035/d.2016.0010313665.

First–principles Investigation of the Structural, Elastic, Electronic, and Optical Properties of α– and β–SrZrS3: Implications for Photovoltaic Applications - Eya HI, Ntsoenzok E, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0099250231.

Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1-xMn2O4 spinel (0.000 < x < 0.375) - data - Ramogayana B, Santos Carballal D, Aparicio Sanchez P, Quesne M, Maenetja KP, Ngoepe PE, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0085116020.

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