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Electronic Bulk and Surface Properties of Titanium Dioxide Studied by DFT-1/2

Langmuir, 2023-10, Vol.39 (42), p.14922-14934

2023

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Lithium Ion Conduction in LiTi2(PO4)3 and Related Compounds Based on the NASICON Structure: A First-Principles Study

Chemistry of materials, 2015-07

2015

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Efficient Modeling Workflow for Accurate Electronic Structures of Hybrid Perovskites

Journal of physical chemistry. C, 2021-09, Vol.125 (34), p.18597-18603

2021

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Die Forschungsanstalt Graf Zeppelin 1937-1945: Ein Überblick

Elsässer, Christian

1, 2022

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Corrigendum to “Screening for sustainable and lead-free perovskite halide absorbers – A database collecting insight from electronic-structure calculations” [Mater. & Des. 234 (2023) 112324]

Materials & design, 2024-04, Vol.240, p.112838, Article 112838

2024

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Manipulation of matter by electric and magnetic fields: Toward novel synthesis and processing routes of inorganic materials

Materials today (Kidlington, England), 2018-06, Vol.21 (5), p.527-536

2018

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Origin of subgap states in amorphous In-Ga-Zn-O

Journal of applied physics, 2013-10, Vol.114 (16)

2013

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Screening for sustainable and lead-free perovskite halide absorbers – A database collecting insight from electronic-structure calculations

Materials & design, 2023-10, Vol.234, p.112324, Article 112324

2023

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Atomic-Resolution Mapping of Localized Phonon Modes at Grain Boundaries

Nano letters, 2023-07, Vol.23 (13), p.5975-5980

2023

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Defects and Phase Formation in Non-Stoichiometric LaFeO3: a Combined Theoretical and Experimental Study

Chemistry of materials, 2021-12, Vol.33 (24), p.9473-9485

2021

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Determination of Formation Energies and Phase Diagrams of Transition Metal Oxides with DFT+U

Materials, 2020-09, Vol.13 (19), p.4303

2020

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Potential-induced degradation in solar cells: Electronic structure and diffusion mechanism of sodium in stacking faults of silicon

Journal of applied physics, 2014-09, Vol.116 (9)

2014

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Screening of rare-earth-lean intermetallic 1-11 and 1-11-X compounds of YNi9In2-type for hard-magnetic applications

Scripta materialia, 2018-09, Vol.154, p.295-299

2018

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Multiferroic Grain Boundaries in Oxygen-Deficient Ferroelectric Lead Titanate

Nano letters, 2015-01, Vol.15 (1), p.27-33

2015

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Interactions of defect complexes and domain walls in CuO-doped ferroelectric (K,Na)NbO3

Applied physics letters, 2013-06, Vol.102 (24)

2013

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Effect of Hydrogen in Mixed Gases on the Mechanical Properties of Steels—Theoretical Background and Review of Test Results

Metals (Basel ), 2021-11, Vol.11 (11), p.1847

2021

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Density functional theory study of stoichiometric and nonstoichiometric ZnO grain boundaries

Physical review. B, Condensed matter and materials physics, 2011-07, Vol.84 (4), Article 045305

2011

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The Electronic Structure of Cs 2 AgBiBr 6 at Room Temperature

physica status solidi (b), 2022-08, Vol.259 (8)

2022

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Optically Pumped Magnetometer Measuring Fatigue-Induced Damage in Steel

Applied sciences, 2022-02, Vol.12 (3), p.1329

2022

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First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel

Acta materialia, 2015-10, Vol.98, p.306-312

2015

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Atomically smooth stress-corrosion cleavage of a hydrogen-implanted crystal

Physical review letters, 2010-08, Vol.105 (7), p.075502-075502, Article 075502

2010

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High-Throughput Screening of Rare-Earth-Lean Intermetallic 1-13-X Compounds for Good Hard-Magnetic Properties

Metals (Basel ), 2019-10, Vol.9 (10), p.1096

2019

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DFT with corrections for an efficient and accurate description of strong electron correlations in NiO

Journal of physics. Condensed matter, 2023-05, Vol.35 (20), p.205901

2023

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The Electronic Structure of Cs2AgBiBr6 at Room Temperature

physica status solidi (b), 2022-08, Vol.259 (8), p.n/a

2022

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First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel

Physical review. B, Condensed matter and materials physics, 2015-12, Vol.92 (22), Article 224301

2015

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Electronic Bulk and Surface Properties of Titanium Dioxide Studied by DFT-1/2

Lithium Ion Conduction in LiTi2(PO4)3 and Related Compounds Based on the NASICON Structure: A First-Principles Study

Efficient Modeling Workflow for Accurate Electronic Structures of Hybrid Perovskites

Die Forschungsanstalt Graf Zeppelin 1937-1945: Ein Überblick

Corrigendum to “Screening for sustainable and lead-free perovskite halide absorbers – A database collecting insight from electronic-structure calculations” [Mater. & Des. 234 (2023) 112324]

Manipulation of matter by electric and magnetic fields: Toward novel synthesis and processing routes of inorganic materials

Origin of subgap states in amorphous In-Ga-Zn-O

Screening for sustainable and lead-free perovskite halide absorbers – A database collecting insight from electronic-structure calculations

Atomic-Resolution Mapping of Localized Phonon Modes at Grain Boundaries

Defects and Phase Formation in Non-Stoichiometric LaFeO3: a Combined Theoretical and Experimental Study

Determination of Formation Energies and Phase Diagrams of Transition Metal Oxides with DFT+U

Potential-induced degradation in solar cells: Electronic structure and diffusion mechanism of sodium in stacking faults of silicon

Screening of rare-earth-lean intermetallic 1-11 and 1-11-X compounds of YNi9In2-type for hard-magnetic applications

Multiferroic Grain Boundaries in Oxygen-Deficient Ferroelectric Lead Titanate

Interactions of defect complexes and domain walls in CuO-doped ferroelectric (K,Na)NbO3

Effect of Hydrogen in Mixed Gases on the Mechanical Properties of Steels—Theoretical Background and Review of Test Results

Density functional theory study of stoichiometric and nonstoichiometric ZnO grain boundaries

The Electronic Structure of Cs 2 AgBiBr 6 at Room Temperature

Optically Pumped Magnetometer Measuring Fatigue-Induced Damage in Steel

First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel

Atomically smooth stress-corrosion cleavage of a hydrogen-implanted crystal

High-Throughput Screening of Rare-Earth-Lean Intermetallic 1-13-X Compounds for Good Hard-Magnetic Properties

DFT with corrections for an efficient and accurate description of strong electron correlations in NiO

The Electronic Structure of Cs2AgBiBr6 at Room Temperature

First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel

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