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Effect of Sodium Oxide Modifier on Structural and Elastic Properties of Silicate Glass

The journal of physical chemistry. B, 2016-12, Vol.120 (51), p.13193-13205

2016

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Kinetic Monte Carlo simulation of polycrystalline silver metal electrodeposition: scaling of roughness and effects of deposition parameters

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (5), p.4216-4229

2023

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Hybrid Modelling Using Lattice Boltzmann and Finite Difference Methods of Dikes Effect on Sediment Transport and Morphological Processes with a Quasi-Tridimensional Approach

Ecological Engineering & Environmental Technology, 2024-11, Vol.25 (11), p.146-162

2024

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Atomic simulation of adsorption of SO2 pollutant by metal (Zn, Be)-oxide and Ni-decorated graphene: a first-principles study

Journal of molecular modeling, 2021-03, Vol.27 (3), Article 70

2021

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Enhanced Photocatalytic Water Splitting of SrTiO3 Perovskite through Cobalt Doping: Experimental and Theoretical DFT Understanding

Inorganic chemistry, 2023-08, Vol.62 (33), p.13405-13418

2023

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On the structure and icosahedral interconnectivity in Tantalum monatomic glass produced under pressure

Physica scripta, 2024-08, Vol.99 (8), p.85946

2024

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Alumina effect on the structure and properties of calcium aluminosilicate in the percalcic region: A molecular dynamics investigation

Journal of non-crystalline solids, 2019-12, Vol.525, p.119470, Article 119470

2019

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Ionic self-diffusion and the glass transition anomaly in aluminosilicates

Physical chemistry chemical physics : PCCP, 2020-08, Vol.22 (3), p.1725-17212

2020

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The effect of Sr substitution on the structural and physical properties of manganite perovskites Ca1−xSrxMnO3−δ (0 ≤ x ≤ 1)

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (32), p.19414-19431

2022

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Enhanced Photocatalytic Water Splitting of SrTiO 3 Perovskite through Cobalt Doping: Experimental and Theoretical DFT Understanding

Inorganic chemistry, 2023-08, Vol.62 (33), p.13405-13418

2023

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Density-Diffusion Relationship in Soda-Lime Phosphosilicate

Journal of non-crystalline solids, 2022-08, Vol.590, p.121665, Article 121665

2022

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The effect of Sr substitution on the structural and physical properties of manganite perovskites Ca 1− x Sr x MnO 3− δ (0 ≤ x ≤ 1)

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (32), p.19414-19431

2022

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The effect of Sr substitution on the structural and physical properties of manganite perovskites CaSrMnO (0 ≤ ≤ 1)

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (32), p.19414-19431

2022

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On the presence of nanoscale heterogeneity in Al70Ni15Co15 metallic glass under pressure

Journal of non-crystalline solids, 2020-12, Vol.550, p.120381, Article 120381

2020

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Morphological Surface Study of Silver Electrodeposition by Kinetic Monte Carlo‐Embedded Atom Method

physica status solidi (b), 2022-07, Vol.259 (7), p.n/a

2022

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DNA Nucleobase under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets

Chemistry : a European journal, 2020-09, Vol.26 (49), p.11340-11344

2020

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The origin of phase separation in binary aluminosilicate glasses

Materialia, 2024-08, Vol.36, p.102148, Article 102148

2024

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Atomistic insights into the structure and elasticity of densified 45S5 bioactive glasses

Physical chemistry chemical physics : PCCP, 2021-07, Vol.23 (28), p.15292-1531

2021

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Potential of nanostructured carbon materials for iodine detection in realistic environments revealed by first-principles calculations

Physical chemistry chemical physics : PCCP, 2023-10, Vol.25 (39), p.26461-26474

2023

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Enhancing the Electrochemical Performance of Olivine LiMnPO4 as Cathode Materials for Li-Ion Batteries by Ni–Fe Codoping

ACS applied energy materials, 2022-09, Vol.5 (9), p.10591-10603

2022

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Adsorption of NO, NO and HO in divalent cation faujasite type zeolites: a density functional theory screening approach

Physical chemistry chemical physics : PCCP, 2022-06, Vol.24 (25), p.15565-15578

2022

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Adsorption of NO, NO 2 and H 2 O in divalent cation faujasite type zeolites: a density functional theory screening approach

Physical chemistry chemical physics : PCCP, 2022-06, Vol.24 (25), p.15565-15578

2022

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First‐Principles Modeling of the Adsorption Mechanism of Carboxylic and Phosphonic Acids onto Pristine and Defective Delafossite CuAlO 2 Surfaces

physica status solidi (b), 2023-10, Vol.260 (10)

2023

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Computational insights into the structure of barium titanosilicate glasses

Journal of the American Ceramic Society, 2019-11, Vol.102 (11), p.6626-6639

2019

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Structure–Elasticity Relationship of Potassium Silicate Glasses from Brillouin Light Scattering Spectroscopy and Molecular Dynamics Simulations

The journal of physical chemistry. B, 2020-10, Vol.124 (41), p.9216-9223

2020

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Effect of Sodium Oxide Modifier on Structural and Elastic Properties of Silicate Glass

Kinetic Monte Carlo simulation of polycrystalline silver metal electrodeposition: scaling of roughness and effects of deposition parameters

Hybrid Modelling Using Lattice Boltzmann and Finite Difference Methods of Dikes Effect on Sediment Transport and Morphological Processes with a Quasi-Tridimensional Approach

Atomic simulation of adsorption of SO2 pollutant by metal (Zn, Be)-oxide and Ni-decorated graphene: a first-principles study

Enhanced Photocatalytic Water Splitting of SrTiO3 Perovskite through Cobalt Doping: Experimental and Theoretical DFT Understanding

On the structure and icosahedral interconnectivity in Tantalum monatomic glass produced under pressure

Alumina effect on the structure and properties of calcium aluminosilicate in the percalcic region: A molecular dynamics investigation

Ionic self-diffusion and the glass transition anomaly in aluminosilicates

The effect of Sr substitution on the structural and physical properties of manganite perovskites Ca1−xSrxMnO3−δ (0 ≤ x ≤ 1)

Enhanced Photocatalytic Water Splitting of SrTiO 3 Perovskite through Cobalt Doping: Experimental and Theoretical DFT Understanding

Density-Diffusion Relationship in Soda-Lime Phosphosilicate

The effect of Sr substitution on the structural and physical properties of manganite perovskites Ca 1− x Sr x MnO 3− δ (0 ≤ x ≤ 1)

The effect of Sr substitution on the structural and physical properties of manganite perovskites CaSrMnO (0 ≤ ≤ 1)

On the presence of nanoscale heterogeneity in Al70Ni15Co15 metallic glass under pressure

Morphological Surface Study of Silver Electrodeposition by Kinetic Monte Carlo‐Embedded Atom Method

DNA Nucleobase under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets

The origin of phase separation in binary aluminosilicate glasses

Atomistic insights into the structure and elasticity of densified 45S5 bioactive glasses

Potential of nanostructured carbon materials for iodine detection in realistic environments revealed by first-principles calculations

Enhancing the Electrochemical Performance of Olivine LiMnPO4 as Cathode Materials for Li-Ion Batteries by Ni–Fe Codoping

Adsorption of NO, NO and HO in divalent cation faujasite type zeolites: a density functional theory screening approach

Adsorption of NO, NO 2 and H 2 O in divalent cation faujasite type zeolites: a density functional theory screening approach

First‐Principles Modeling of the Adsorption Mechanism of Carboxylic and Phosphonic Acids onto Pristine and Defective Delafossite CuAlO 2 Surfaces

Computational insights into the structure of barium titanosilicate glasses

Structure–Elasticity Relationship of Potassium Silicate Glasses from Brillouin Light Scattering Spectroscopy and Molecular Dynamics Simulations

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