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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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Siesta: Recent developments and applications

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204108-204108

2020

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Comparative study of structural and electronic properties of GaSe and InSe polytypes

The Journal of chemical physics, 2018-08, Vol.149 (5), p.054106-054106

2018

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A terahertz-vibration to terahertz-radiation converter based on gold nanoobjects: a feasibility study

Beilstein journal of nanotechnology, 2016, Vol.7 (28), p.983-989

2016

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Density functional studies of molecular magnets

Physica Status Solidi (b), 2006-09, Vol.243 (11), p.2533-2572

2006

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Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC3 Monolayer

physica status solidi (b), 2021-08, Vol.258 (8), p.n/a

2021

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Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC 3 Monolayer

physica status solidi (b), 2021-08, Vol.258 (8)

2021

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Supramolecular Self-Assembled Polynuclear Complexes from Tritopic, Tetratopic, and Pentatopic Ligands: Structural, Magnetic and Surface Studies

Inorganic chemistry, 2007-09, Vol.46 (19), p.7767-7781

2007

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The {Fe III [Fe III (L 1 ) 2 ] 3 } star-type single-molecule magnet

Dalton transactions : an international journal of inorganic chemistry, 2006 (23), p.2865-2874

2006

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Calculated vibration spectrum of monoclinic Cu2SnSe3 in comparison with kesterite-type Cu2ZnSnSe4

Physica status solidi. A, Applications and materials science, 2013-07, Vol.210 (7), p.1332-1335

2013

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First-Principles Study of Hydrogen Dynamics in Monoclinic TiO

Journal of physical chemistry. C, 2023-06, Vol.127 (25), p.11787-11800

2023

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Calculated vibration spectrum of calcium hexahydroxodizincate dihydrate (qatranaite)

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2024-10, Vol.318, p.124414, Article 124414

2024

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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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Ab initio Phonons in Kesterite and Stannite-Type Cu2ZnSnSe4

Jpn J Appl Phys, 2011-05, Vol.50 (5), p.05FE04-05FE04-2

Postnikov, Andrei

2011

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Electronic structure and soft-X-ray-induced photoreduction studies of iron-based magnetic polyoxometalates of type {(M)M5}12FeIII30 (M = MoVI, WVI)

Dalton transactions : an international journal of inorganic chemistry, 2013, Vol.42 (22), p.7924-7935

2013

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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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Quantum simulation of the ground-state Stark effect in small molecules: a case study using IBM Q

Soft computing (Berlin, Germany), 2021-05, Vol.25 (9), p.6807-6830

2021

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STM/STS Observation of Polyoxoanions on HOPG Surfaces: the Wheel-Shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25- and the Ball-Shaped [{Sn(CH3)2(H2O)}24{Sn(CH3)2}12(A-PW9O34)12]36

Inorganic chemistry, 2006-04, Vol.45 (7), p.2866-2872

2006

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Multi-phonon (percolation) behavior and local clustering of CdxZn1−xSe-cubic mixed crystals (x ≤ 0.3): A Raman–ab initio study

Journal of applied physics, 2019-09, Vol.126 (10)

2019

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Terahertz-to-infrared converters for imaging the human skin cancer: challenges and feasibility

Journal of medical imaging (Bellingham, Wash.), 2023-03, Vol.10 (2), p.023501-023501

2023

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Star-Shaped Molecule of MnII4O6 Core with an St = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

Inorganic chemistry, 2008-06, Vol.47 (11), p.4605-4617

2008

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The Phonon Percolation Scheme for Alloys: Extension to the Entire Lattice Dynamics and Pressure Dependence

Japanese Journal of Applied Physics, 2011-05, Vol.50 (5S2), p.5

2011

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Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: A density functional theory study

Physical review. B, Condensed matter and materials physics, 2010-08, Vol.82 (5), Article 054418

2010

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The Phonon Percolation Scheme for Alloys: Extension to the Entire Lattice Dynamics and Pressure Dependence

Japanese Journal of Applied Physics, 2011-05, Vol.50 (5), p.05FE02-05FE02-4

2011

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

Siesta: Recent developments and applications

Comparative study of structural and electronic properties of GaSe and InSe polytypes

A terahertz-vibration to terahertz-radiation converter based on gold nanoobjects: a feasibility study

Density functional studies of molecular magnets

Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC3 Monolayer

Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC 3 Monolayer

Supramolecular Self-Assembled Polynuclear Complexes from Tritopic, Tetratopic, and Pentatopic Ligands: Structural, Magnetic and Surface Studies

The {Fe III [Fe III (L 1 ) 2 ] 3 } star-type single-molecule magnet

Calculated vibration spectrum of monoclinic Cu2SnSe3 in comparison with kesterite-type Cu2ZnSnSe4

First-Principles Study of Hydrogen Dynamics in Monoclinic TiO

Calculated vibration spectrum of calcium hexahydroxodizincate dihydrate (qatranaite)

S iesta : Recent developments and applications

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

Ab initio Phonons in Kesterite and Stannite-Type Cu2ZnSnSe4

Electronic structure and soft-X-ray-induced photoreduction studies of iron-based magnetic polyoxometalates of type {(M)M5}12FeIII30 (M = MoVI, WVI)

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

Quantum simulation of the ground-state Stark effect in small molecules: a case study using IBM Q

STM/STS Observation of Polyoxoanions on HOPG Surfaces: the Wheel-Shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25- and the Ball-Shaped [{Sn(CH3)2(H2O)}24{Sn(CH3)2}12(A-PW9O34)12]36

Multi-phonon (percolation) behavior and local clustering of CdxZn1−xSe-cubic mixed crystals (x ≤ 0.3): A Raman–ab initio study

Terahertz-to-infrared converters for imaging the human skin cancer: challenges and feasibility

Star-Shaped Molecule of MnII4O6 Core with an St = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods

The Phonon Percolation Scheme for Alloys: Extension to the Entire Lattice Dynamics and Pressure Dependence

Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: A density functional theory study

The Phonon Percolation Scheme for Alloys: Extension to the Entire Lattice Dynamics and Pressure Dependence

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