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Ish: Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba5M4O15(M = Ta, Nb): a DFT study using HSE06

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Stewart J. Clark, Matthew Segall, Chris J. Pickard +4
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Hybrid functionals based on a screened Coulomb potential
Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof
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Absolute electronegativity and hardness: application to inorganic chemistry
Ralph G. Pearson
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"Special points for Brillouin-zone integrations"—a reply
J.D. Pack, Hendrik J. Monkhorst
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Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof
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Relaxation of Crystals with the Quasi-Newton Method
Bernd Pfrommer, Michel Côté, Steven G. Louie +1
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Effective Masses and Electronic and Optical Properties of Nontoxic MASnX3 (X = Cl, Br, and I) Perovskite Structures as Solar Cell Absorber: A Theoretical Study Using HSE06
Jing Feng, Bing Xiao
Maqola20144 iqtibos
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Introduction to solid state physics
Maqola19564 iqtibos
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Photocatalytic oxygen evolution using BaNbO2N modified with cobalt oxide under photoexcitation up to 740 nm
Takashi Hisatomi, Chisato Katayama, Yosuke Moriya +5
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Investigations of the electronic structure of d0 transition metal oxides belonging to the perovskite family
Hank W. Eng, Paris W. Barnes, Benjamin M. Auer +1
Maqola20033 iqtibos
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Transparent Conducting Coatings
G. Haacke
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Synthesis and properties of visible light responsive g-C3N4/Bi2O2CO3 layered heterojunction nanocomposites
Qian Zhang, Haoying Wang, Shaozheng Hu +5
Maqola20152 iqtibos
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Ionicities of Boron-Boron Bonds in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi mathvariant="normal">B</mml:mi><mml:mn>12</mml:mn></mml:msub></mml:math>Icosahedra
Julong He, Erdong Wu, Hui‐Tian Wang +2
Maqola20052 iqtibos
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Photocatalytic Hydrogen Production from Water Using N-Doped Ba5Ta4O15 under Solar Irradiation
Aniruddh Mukherji, Chenghua Sun, Sean C. Smith +2
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Why is anatase a better photocatalyst than rutile? - Model studies on epitaxial TiO2 films
Tim Luttrell, Sandamali Halpegamage, Junguang Tao +3
Maqola20142 iqtibos
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Synthesis, structural, magnetic and transport properties of layered perovskite-related titanates, niobates and tantalates of the type AnBnO3n+2, A′Ak−1BkO3k+1 and AmBm−1O3m
F. Lichtenberg, Alexander Herrnberger, K. Wiedenmann
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Norm-Conserving Pseudopotentials
D. R. Hamann, M. Schlüter, Chun-Yueh Chiang
Maqola19792 iqtibos
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Electronic, optical and photocatalytic properties of three-layer perovskite Dion–Jacobson phase CsBa2M3O10(M = Ta, Nb): a DFT study
Ehsan Zahedi, Mirabbos Hojamberdiev, Maged F. Bekheet
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Crystal Structures, Optical Properties, and Effective Mass Tensors of CH3NH3PbX3 (X = I and Br) Phases Predicted from HSE06
Jing Feng, Bing Xiao
Maqola20142 iqtibos
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First-Principles Investigations of the Structure, Electronic, and Optical Properties of Mullite-Type Orthorhombic Bi2M4O9 (M = Al3+, Ga3+)
Ehsan Zahedi, Bing Xiao, Mohadese Shayestefar
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Sarlavhasiz
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Sarlavhasiz
Boshqa1 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
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Sarlavhasiz
Boshqa1 iqtibos
ABI

Ushbu ish iqtibos qilgan ishlar

Introduction to Solid State Physics

First principles methods using CASTEP

Hybrid functionals based on a screened Coulomb potential

Absolute electronegativity and hardness: application to inorganic chemistry

"Special points for Brillouin-zone integrations"—a reply

Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]

Relaxation of Crystals with the Quasi-Newton Method

Effective Masses and Electronic and Optical Properties of Nontoxic MASnX<sub>3</sub> (X = Cl, Br, and I) Perovskite Structures as Solar Cell Absorber: A Theoretical Study Using HSE06

Introduction to solid state physics

Photocatalytic oxygen evolution using BaNbO2N modified with cobalt oxide under photoexcitation up to 740 nm

Investigations of the electronic structure of d0 transition metal oxides belonging to the perovskite family

Transparent Conducting Coatings

Synthesis and properties of visible light responsive g-C<sub>3</sub>N<sub>4</sub>/Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub> layered heterojunction nanocomposites

Ionicities of Boron-Boron Bonds in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi mathvariant="normal">B</mml:mi><mml:mn>12</mml:mn></mml:msub></mml:math>Icosahedra

Photocatalytic Hydrogen Production from Water Using N-Doped Ba<sub>5</sub>Ta<sub>4</sub>O<sub>15</sub> under Solar Irradiation

Why is anatase a better photocatalyst than rutile? - Model studies on epitaxial TiO2 films

Synthesis, structural, magnetic and transport properties of layered perovskite-related titanates, niobates and tantalates of the type AnBnO3n+2, A′Ak−1BkO3k+1 and AmBm−1O3m

Norm-Conserving Pseudopotentials

Electronic, optical and photocatalytic properties of three-layer perovskite Dion–Jacobson phase CsBa<sub>2</sub>M<sub>3</sub>O<sub>10</sub>(M = Ta, Nb): a DFT study

Crystal Structures, Optical Properties, and Effective Mass Tensors of CH<sub>3</sub>NH<sub>3</sub>PbX<sub>3</sub> (X = I and Br) Phases Predicted from HSE06

First-Principles Investigations of the Structure, Electronic, and Optical Properties of Mullite-Type Orthorhombic Bi<sub>2</sub>M<sub>4</sub>O<sub>9</sub> (M = Al<sup>3+</sup>, Ga<sup>3+</sup>)

Sarlavhasiz

Sarlavhasiz

Sarlavhasiz

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