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Zinc blende versus wurtzite ZnS nanoparticles: control of the phase and optical properties by tetrabutylammonium hydroxide

Physical chemistry chemical physics : PCCP, 2014-10, Vol.16 (37), p.2127-2137

2014

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Strong violet-blue light photoluminescence emission at room temperature in SrZrO3 : Joint experimental and theoretical study

Acta materialia, 2008-06, Vol.56 (10), p.2191-2202

2008

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Electronic and Structural Properties of the (101̅0) and (112̅0) ZnO Surfaces

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (38), p.8958-8963

2008

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TiO2 synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation

Journal of solid state chemistry, 2014-02, Vol.210 (1), p.171-177

2014

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Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 Composite Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (38), p.8943-8952

2008

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Correlation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystals

Journal of materials chemistry. C, Materials for optical and electronic devices, 2014-01, Vol.2 (47), p.1164-1174

2014

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Toward an Understanding of Intermediate- and Short-Range Defects in ZnO Single Crystals. A Combined Experimental and Theoretical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (38), p.8970-8978

2008

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Controlling the Electronic, Structural, and Optical Properties of Novel MgTiO3/LaNiO3 Nanostructured Films for Enhanced Optoelectronic Devices

ACS applied nano materials, 2019-05, Vol.2 (5), p.2612-2620

2019

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Electronic, mechanical and piezoelectric properties of glass-like complex Na2Si1−xGexO3 (x = 0.0, 0.25, 0.50, 0.75, 1.0)

RSC advances, 2022-09, Vol.12 (42), p.27666-27678

2022

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Morphological Transformation Network of Nanoparticles via DFT Simulations

Crystal growth & design, 2020-07, Vol.20 (7), p.4600-4611

2020

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Electronic, mechanical and piezoelectric properties of glass-like complex Na 2 Si 1- x Ge x O 3 ( x = 0.0, 0.25, 0.50, 0.75, 1.0)

RSC advances, 2022-09, Vol.12 (42), p.27666-27678

2022

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Porous silicene and silicon graphenylene-like surfaces: a DFT study

Theoretical chemistry accounts, 2018, Vol.137 (1), p.1-9, Article 13

2018

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First-principles calculations and Raman scattering evidence for local symmetry lowering in rhombohedral ilmenite: temperature- and pressure-dependent studies

Journal of physics. Condensed matter, 2018-12, Vol.30 (48), p.485401-485401

2018

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In silico infrared and Raman spectroscopy under pressure: the case of CaSnO3 perovskite

The Journal of chemical physics, 2015-01, Vol.142 (1), p.014505-014505

2015

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Decay of photo-induced conductivity in Sb-doped SnO2 thin films, using monochromatic light of about bandgap energy

Applied surface science, 2013-02, Vol.267, p.164-168

2013

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Static simulation of bulk and selected surfaces of anatase TiO2

Surface science, 2001-09, Vol.490 (1-2), p.116-124

2001

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Intense violet-blue photoluminescence in BaZrO3 powders : A theoretical and experimental investigation of structural order-disorder

Optics communications, 2008-07, Vol.281 (14), p.3715-3720

2008

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Theoretical Study on the Molecular Mechanism for the Reaction of VO2 + with C2H4

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-05, Vol.107 (17), p.3107-3120

2003

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Controlling the Electronic, Structural, and Optical Properties of Novel MgTiO 3 /LaNiO 3 Nanostructured Films for Enhanced Optoelectronic Devices

ACS applied nano materials, 2019-05, Vol.2 (5), p.2612-2620

2019

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Mechanistic Insights into the Reaction between VO2 + and Propene Based on a DFT Study

Organometallics, 2006-03, Vol.25 (7), p.1643-1653

2006

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DFT Study of the Reaction between VO2 + and C2H6

Organometallics, 2004-02, Vol.23 (4), p.730-739

2004

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Towards an insight on photodamage in hair fibre by UV-light: An experimental and theoretical study

International journal of cosmetic science, 2013-12, Vol.35 (6), p.539-545

2013

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Thermodynamic and electronic study of Ga1-xMnxN films. A theoretical study

Surface science, 2011-08, Vol.605 (15-16), p.1431-1437

2011

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Computational simulations of ZnO@GaN and GaN@ZnO core@shell nanotubes

Journal of solid state chemistry, 2018-10, Vol.266, p.217-225

2018

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Theoretical study of porous surfaces derived from graphene and boron nitride

Journal of solid state chemistry, 2018-02, Vol.258, p.247-255

2018

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Zinc blende versus wurtzite ZnS nanoparticles: control of the phase and optical properties by tetrabutylammonium hydroxide

Strong violet-blue light photoluminescence emission at room temperature in SrZrO3 : Joint experimental and theoretical study

Electronic and Structural Properties of the (101̅0) and (112̅0) ZnO Surfaces

TiO2 synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation

Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 Composite Systems

Correlation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystals

Toward an Understanding of Intermediate- and Short-Range Defects in ZnO Single Crystals. A Combined Experimental and Theoretical Study

Controlling the Electronic, Structural, and Optical Properties of Novel MgTiO3/LaNiO3 Nanostructured Films for Enhanced Optoelectronic Devices

Electronic, mechanical and piezoelectric properties of glass-like complex Na2Si1−xGexO3 (x = 0.0, 0.25, 0.50, 0.75, 1.0)

Morphological Transformation Network of Nanoparticles via DFT Simulations

Electronic, mechanical and piezoelectric properties of glass-like complex Na 2 Si 1- x Ge x O 3 ( x = 0.0, 0.25, 0.50, 0.75, 1.0)

Porous silicene and silicon graphenylene-like surfaces: a DFT study

First-principles calculations and Raman scattering evidence for local symmetry lowering in rhombohedral ilmenite: temperature- and pressure-dependent studies

In silico infrared and Raman spectroscopy under pressure: the case of CaSnO3 perovskite

Decay of photo-induced conductivity in Sb-doped SnO2 thin films, using monochromatic light of about bandgap energy

Static simulation of bulk and selected surfaces of anatase TiO2

Intense violet-blue photoluminescence in BaZrO3 powders : A theoretical and experimental investigation of structural order-disorder

Theoretical Study on the Molecular Mechanism for the Reaction of VO2 + with C2H4

Controlling the Electronic, Structural, and Optical Properties of Novel MgTiO 3 /LaNiO 3 Nanostructured Films for Enhanced Optoelectronic Devices

Mechanistic Insights into the Reaction between VO2 + and Propene Based on a DFT Study

DFT Study of the Reaction between VO2 + and C2H6

Towards an insight on photodamage in hair fibre by UV-light: An experimental and theoretical study

Thermodynamic and electronic study of Ga1-xMnxN films. A theoretical study

Computational simulations of ZnO@GaN and GaN@ZnO core@shell nanotubes

Theoretical study of porous surfaces derived from graphene and boron nitride

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