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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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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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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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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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Secondary phase Cu2SnSe3 vs. kesterite Cu2ZnSnSe4: Similarities and differences in lattice vibration modes

Journal of applied physics, 2012-08, Vol.112 (3)

2012

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Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4: Calculated phonons in Cu 2 SnSe 3 compared to Cu 2 ZnSnSe 4

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

2013

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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

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)

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

S iesta : Recent developments and applications

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

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

Secondary phase Cu2SnSe3 vs. kesterite Cu2ZnSnSe4: Similarities and differences in lattice vibration modes

Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4: Calculated phonons in Cu 2 SnSe 3 compared to Cu 2 ZnSnSe 4

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