UB Paderborn / Katalog / Suche / in CDI

Methylammonium Rotational Dynamics in Lead Halide Perovskite by Classical Molecular Dynamics: The Role of Temperature

Journal of physical chemistry. C, 2015-07, Vol.119 (30), p.17421-17428

2015

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Thermally Activated Point Defect Diffusion in Methylammonium Lead Trihalide: Anisotropic and Ultrahigh Mobility of Iodine

The journal of physical chemistry letters, 2016-07, Vol.7 (13), p.2356-2361

2016

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Appealing Perspectives of Hybrid Lead–Iodide Perovskites as Thermoelectric Materials

Journal of physical chemistry. C, 2016-12, Vol.120 (50), p.28472-28479

2016

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Temperature Evolution of Methylammonium Trihalide Vibrations at the Atomic Scale

The journal of physical chemistry letters, 2016-02, Vol.7 (3), p.529-535

2016

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Advanced capabilities for materials modelling with Quantum ESPRESSO

Journal of physics. Condensed matter, 2017-11, Vol.29 (46), p.465901

2017

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Low electron-polar optical phonon scattering as a fundamental aspect of carrier mobility in methylammonium lead halide CH3NH3PbI3 perovskites

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (22), p.15352-15362

2016

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Donuts and Spin Vortices at the Fermi Surfaces of Hybrid Lead-Iodide CH3NH3PbI3 Perovskites

Journal of physical chemistry. C, 2019-03, Vol.123 (11), p.6753-6762

2019

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Thermopower in oxide heterostructures: The importance of being multiple-band conductors

Physical review. B, Condensed matter and materials physics, 2012-11, Vol.86 (19), Article 195301

2012

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Photoluminescence, optical gain, and lasing threshold in CH3NH3PbI3 methylammonium lead-halide perovskites obtained by ab initio calculations

Journal of materials chemistry. C, Materials for optical and electronic devices, 2017, Vol.5 (48), p.12758-12768

2017

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Advanced capabilities for materials modelling with Quantum ESPRESSO

Journal of physics. Condensed matter, 2017-11, Vol.29 (46), p.465901-465901

2017

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Spontaneous 2-dimensional carrier confinement at the n-type SrTiO3/LaAlO3 interface

Physical review letters, 2011-04, Vol.106 (16), p.166807-166807

2011

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Donuts and Spin Vortices at the Fermi Surfaces of Hybrid Lead-Iodide CH 3 NH 3 PbI 3 Perovskites

Journal of physical chemistry. C, 2019-03, Vol.123 (11), p.6753-6762

2019

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Systematic First Principles Calculations of the Effects of Stacking Fault Defects on the 4H-SiC Band Structure

Materials science forum, 2010-01, Vol.645-648, p.283-286

2010

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Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods

Physical review. B, Condensed matter and materials physics, 2011-09, Vol.84 (11), Article 115114

2011

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Native point defects in CaCu3Ti4O12

IOP conference series. Materials Science and Engineering, 2010-01, Vol.8 (1), p.012015-012015

2010

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Low electron-polar optical phonon scattering as a fundamental aspect of carrier mobility in methylammonium lead halide CH3NH3PbI3 perovskitesElectronic supplementary information (ESI) available: Detailed formulation used for the relaxation time modeling; calculation of deformation potentials for MAPI. See DOI: 10.1039/c6cp01402j

2016-06

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Low electron-polar optical phonon scattering as a fundamental aspect of carrier mobility in methylammonium lead halide CH sub(3)NH sub(3)PbI sub(3 ) perovskites

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (22), p.15352-15362

2016

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Low electron-polar optical phonon scattering as a fundamental aspect of carrier mobility in methylammonium lead halide CH 3 NH 3 PbI 3 perovskites

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (22), p.15352-15362

2016

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Doping-dependent band structure of LaAlO3/SrTiO3 interfaces by soft x-ray polarization-controlled resonant angle-resolved photoemission

2014-03

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Dielectric properties of high-κ oxides: Theory and experiment for Lu2O3

Physical review letters, 2005-01, Vol.94 (2), p.027602.1-027602.4

2005

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Photoluminescence, optical gain, and lasing threshold in CH 3 NH 3 PbI 3 methylammonium lead-halide perovskites obtained by ab initio calculations

Journal of materials chemistry. C, Materials for optical and electronic devices, 2017, Vol.5 (48), p.12758-12768

2017

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Perovskite CaCu3Ti4O12 thin films for capacitive applications: From the growth to the nanoscopic imaging of the permittivity

Journal of applied physics, 2009-03, Vol.105 (6)

2009

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Dielectric properties of two phases of crystalline lutetium oxide

Microelectronics and reliability, 2005-05, Vol.45 (5), p.831-833

2005

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Doping-dependent band structure of LaAlO 3 /SrTiO 3 interfaces by soft x-ray polarization-controlled resonant angle-resolved photoemission

Physical review. B, Condensed matter and materials physics, 2014-03, Vol.89 (12), Article 121412

2014

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Variational pseudo-self-interaction-corrected density functional approach to the ab initio description of correlated solids and molecules

Physical review. B, Condensed matter and materials physics, 2011-11, Vol.84 (19), Article 195127

2011

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Methylammonium Rotational Dynamics in Lead Halide Perovskite by Classical Molecular Dynamics: The Role of Temperature

Thermally Activated Point Defect Diffusion in Methylammonium Lead Trihalide: Anisotropic and Ultrahigh Mobility of Iodine

Appealing Perspectives of Hybrid Lead–Iodide Perovskites as Thermoelectric Materials

Temperature Evolution of Methylammonium Trihalide Vibrations at the Atomic Scale

Advanced capabilities for materials modelling with Quantum ESPRESSO

Low electron-polar optical phonon scattering as a fundamental aspect of carrier mobility in methylammonium lead halide CH3NH3PbI3 perovskites

Donuts and Spin Vortices at the Fermi Surfaces of Hybrid Lead-Iodide CH3NH3PbI3 Perovskites

Thermopower in oxide heterostructures: The importance of being multiple-band conductors

Photoluminescence, optical gain, and lasing threshold in CH3NH3PbI3 methylammonium lead-halide perovskites obtained by ab initio calculations

Advanced capabilities for materials modelling with Quantum ESPRESSO

Spontaneous 2-dimensional carrier confinement at the n-type SrTiO3/LaAlO3 interface

Donuts and Spin Vortices at the Fermi Surfaces of Hybrid Lead-Iodide CH 3 NH 3 PbI 3 Perovskites

Systematic First Principles Calculations of the Effects of Stacking Fault Defects on the 4H-SiC Band Structure

Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods

Native point defects in CaCu3Ti4O12

Low electron-polar optical phonon scattering as a fundamental aspect of carrier mobility in methylammonium lead halide CH sub(3)NH sub(3)PbI sub(3 ) perovskites

Low electron-polar optical phonon scattering as a fundamental aspect of carrier mobility in methylammonium lead halide CH 3 NH 3 PbI 3 perovskites

Doping-dependent band structure of LaAlO3/SrTiO3 interfaces by soft x-ray polarization-controlled resonant angle-resolved photoemission

Dielectric properties of high-κ oxides: Theory and experiment for Lu2O3

Photoluminescence, optical gain, and lasing threshold in CH 3 NH 3 PbI 3 methylammonium lead-halide perovskites obtained by ab initio calculations

Perovskite CaCu3Ti4O12 thin films for capacitive applications: From the growth to the nanoscopic imaging of the permittivity

Dielectric properties of two phases of crystalline lutetium oxide

Doping-dependent band structure of LaAlO 3 /SrTiO 3 interfaces by soft x-ray polarization-controlled resonant angle-resolved photoemission

Variational pseudo-self-interaction-corrected density functional approach to the ab initio description of correlated solids and molecules

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