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Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: performances of different exchange-correlation functionals

The Journal of chemical physics, 2007-04, Vol.126 (15), p.154703-154703

2007

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Three‐terminal perovskite/integrated back contact silicon tandem solar cells under low light intensity conditions

Interdisciplinary materials (Print), 2022-01, Vol.1 (1), p.148-156

2022

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Atomic scale mechanisms for the amorphisation of irradiated graphite

Carbon (New York), 2015-09, Vol.91, p.395-407

2015

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Complexation of Nickel Ions by Boric Acid or (Poly)borates

Journal of solution chemistry, 2017-01, Vol.46 (1), p.25-43

2017

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Adsorption of atomic hydrogen on defect sites of graphite: Influence of surface reconstruction and irradiation damage

Carbon (New York), 2018-02, Vol.127, p.437-448

2018

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The effect of composition on phonon softening in ABO-type perovskites: DFT modelling

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (44), p.2764-2774

2022

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The effect of composition on phonon softening in ABO 3 -type perovskites: DFT modelling

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (44), p.27064-27074

2022

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The effect of composition on phonon softening in ABO3-type perovskites: DFT modelling

Physical chemistry chemical physics : PCCP, 2022, Vol.24 (44), p.27064-27074

2022

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Effects of Copper Substitution by Alkali Metals on the Properties of Chalcopyrites for Tandem Applications: Insights from Theory

Journal of physical chemistry. C, 2020-05, Vol.124 (19), p.10353-10366

2020

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Structural and Electronic Properties of Selected Rutile and Anatase TiO2 Surfaces: An ab Initio Investigation

Journal of chemical theory and computation, 2008-02, Vol.4 (2), p.341-352

2008

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A comment on “The interaction of X 2 (X = F, Cl, and Br) with active sites of graphite” [Xu et al., Chem. Phys. Lett., 418, 413 (2006)]

Chemical physics letters, 2018-04, Vol.698, p.93-96

2018

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A comment on “The interaction of [formula omitted] (X = F, Cl, and Br) with active sites of graphite” [Xu et al., Chem. Phys. Lett., 418, 413 (2006)]

Chemical physics letters, 2018-04, Vol.698, p.93-96

2018

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First-principles investigation of CO2, CO, and O2 adsorptions on the (001)-reconstructed surfaces of CsPbX3 (X = Cl, Br, and I) perovskites

Surfaces and interfaces, 2021-08, Vol.25 (6), p.101264, Article 101264

2021

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Structural and transport properties of quenched and melt-spun BixSb2−xTe3 solid solutions (x = 0.40 and 0.48)

Journal of materials science, 2020, Vol.55 (3), p.1092-1106

2020

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First-principles study on the role of silicon point defects on PERC solar cell degradation

2021 IEEE 48th Photovoltaic Specialists Conference (PVSC), 2021, p.0809-0813

2021

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First-Principles Study of the Structural, Electronic, Dynamic, and Mechanical Properties of HOPG and Diamond: Influence of Exchange–Correlation Functionals and Dispersion Interactions

Journal of physical chemistry. C, 2016-03, Vol.120 (9), p.5083-5100

2016

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Ab Initio Studies of Electronic Structure, Phonon Modes, and Elastic Properties of Mg2Si

The journal of physical chemistry. B, 1997-11, Vol.101 (45), p.9147-9152

1997

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Structural and transport properties of quenched and melt-spun Bi x Sb2−x Te3 solid solutions (x = 0.40 and 0.48)

Journal of materials science, 2020-01, Vol.55 (3), p.1092-1106

2020

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First-principles study of the mechanisms of the pressure-induced dielectric anomalies in ferroelectric perovskites

Phase transitions, 2013-11, Vol.86 (11), p.1069-1084

2013

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Effect of Chlorine Inclusion in Wide Band Gap FAPbBr 3 Perovskites

Advanced optical materials, 2024-10

2024

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Investigation of the Nozzle Diameter as a Control Parameter of the Properties of Melt-Spun Sb2−xBixTe3

Journal of electronic materials, 2016, Vol.45 (3), p.1419-1424

2016

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Humidity‐Induced Degradation Processes of Halide Perovskites Unveiled by Correlative Analytical Electron Microscopy

Small methods, 2024-01, Vol.8 (1), p.e2300901-n/a

2024

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Comprehensive Study of the Low-Temperature Transport and Thermodynamic Properties of the Cluster Compounds AgxMo9Se11 (3.41 ≤ x ≤ 3.78)

Chemistry of materials, 2014-08, Vol.26 (16), p.4765-4775

2014

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Influence of Preparation Processing on the Transport Properties of Melt-Spun Sb2−xBixTe3+y

Journal of electronic materials, 2016-03, Vol.45 (3), p.1561-1569

2016

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Detrimental effects of ion migration in the perovskite and hole transport layers on the efficiency of inverted perovskite solar cells

Journal of photonics for energy, 2020-04, Vol.10 (2), p.1

2020

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Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: performances of different exchange-correlation functionals

Three‐terminal perovskite/integrated back contact silicon tandem solar cells under low light intensity conditions

Atomic scale mechanisms for the amorphisation of irradiated graphite

Complexation of Nickel Ions by Boric Acid or (Poly)borates

Adsorption of atomic hydrogen on defect sites of graphite: Influence of surface reconstruction and irradiation damage

The effect of composition on phonon softening in ABO-type perovskites: DFT modelling

The effect of composition on phonon softening in ABO 3 -type perovskites: DFT modelling

The effect of composition on phonon softening in ABO3-type perovskites: DFT modelling

Effects of Copper Substitution by Alkali Metals on the Properties of Chalcopyrites for Tandem Applications: Insights from Theory

Structural and Electronic Properties of Selected Rutile and Anatase TiO2 Surfaces: An ab Initio Investigation

A comment on “The interaction of X 2 (X = F, Cl, and Br) with active sites of graphite” [Xu et al., Chem. Phys. Lett., 418, 413 (2006)]

A comment on “The interaction of [formula omitted] (X = F, Cl, and Br) with active sites of graphite” [Xu et al., Chem. Phys. Lett., 418, 413 (2006)]

First-principles investigation of CO2, CO, and O2 adsorptions on the (001)-reconstructed surfaces of CsPbX3 (X = Cl, Br, and I) perovskites

Structural and transport properties of quenched and melt-spun BixSb2−xTe3 solid solutions (x = 0.40 and 0.48)

First-principles study on the role of silicon point defects on PERC solar cell degradation

First-Principles Study of the Structural, Electronic, Dynamic, and Mechanical Properties of HOPG and Diamond: Influence of Exchange–Correlation Functionals and Dispersion Interactions

Ab Initio Studies of Electronic Structure, Phonon Modes, and Elastic Properties of Mg2Si

Structural and transport properties of quenched and melt-spun Bi x Sb2−x Te3 solid solutions (x = 0.40 and 0.48)

First-principles study of the mechanisms of the pressure-induced dielectric anomalies in ferroelectric perovskites

Effect of Chlorine Inclusion in Wide Band Gap FAPbBr 3 Perovskites

Investigation of the Nozzle Diameter as a Control Parameter of the Properties of Melt-Spun Sb2−xBixTe3

Humidity‐Induced Degradation Processes of Halide Perovskites Unveiled by Correlative Analytical Electron Microscopy

Comprehensive Study of the Low-Temperature Transport and Thermodynamic Properties of the Cluster Compounds AgxMo9Se11 (3.41 ≤ x ≤ 3.78)

Influence of Preparation Processing on the Transport Properties of Melt-Spun Sb2−xBixTe3+y

Detrimental effects of ion migration in the perovskite and hole transport layers on the efficiency of inverted perovskite solar cells

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