Results 171 to 180 of about 2,713 (215)
Some of the next articles are maybe not open access.
Molecular dynamics of the methylammonium cation in [CH3NH3]5Bi2Cl11
Solid State Nuclear Magnetic Resonance, 1993The 1H relaxation times T1 of methylammonium in chlorobismuthate(III) were measured in the temperature range from 50 to 270 K with a SXP 4/100 Bruker pulse spectrometer at 55.2 MHz. It was found that the T1 temperature dependence has three minima. The individual relaxation rates of the three-proton groups can be described by the O'Reilly and Tsang ...
W, Medycki, N, Piślewski, R, Jakubas
openaire +2 more sources
The Journal of Physical Chemistry Letters, 2020
Working organic-inorganic lead halide perovskite-based devices are notoriously sensitive to surface and interface effects. Using a combination of density functional theory (DFT) and time-dependent DFT methods, we report a comprehensive study of the changes (with respect to the bulk) in geometric and electronic structures going on at the (001) surface ...
Guangjun Nan +3 more
openaire +2 more sources
Working organic-inorganic lead halide perovskite-based devices are notoriously sensitive to surface and interface effects. Using a combination of density functional theory (DFT) and time-dependent DFT methods, we report a comprehensive study of the changes (with respect to the bulk) in geometric and electronic structures going on at the (001) surface ...
Guangjun Nan +3 more
openaire +2 more sources
Dissociation of Methylammonium Cations in Hybrid Organic–Inorganic Perovskite Solar Cells
Nano Letters, 2016Organic-inorganic lead perovskites have shown great promise as photovoltaic materials, and within this class of materials (CH3NH3)PbI3-xClx is of particular interest. Herein we use soft X-ray spectroscopy and density functional theory calculations to demonstrate that the methylammonium cations in a typical photovoltaic layer may dissociate into a ...
Weidong, Xu +5 more
openaire +2 more sources
Self-Alignment of the Methylammonium Cations in Thin-Film Organometal Perovskites
The Journal of Physical Chemistry Letters, 2014A comparative study of the electronic structure of methylammonium (CH3NH3) in organometallic lead triiodide perovskite (CH3NH3PbI3) thin films synthesized using either one- or two-step deposition protocols is performed using angle-resolved C K-edge soft X-ray absorption spectroscopy (XAS) and model calculations. We find that our XAS measurements can be
John A, McLeod +4 more
openaire +2 more sources
Mechanism and Impact of Cation Polarization in Methylammonium Lead Iodide
The Journal of Physical Chemistry C, 2018Despite the intense research effort on metal halide perovskites, the fundamental correlation between the crystal structure and optoelectronic properties remains unclear. As many intriguing phenomena are expected to be based on the dipolar character of the rotating organic cations, an improved understanding of the material’s polarizability is of high ...
Susanne T. Birkhold +6 more
openaire +1 more source
ChemSusChem, 2016
AbstractThe dynamic evolution of the vibrational interactions in the prototypical CH3NH3PbI3 was studied through a comprehensive experimental and theoretical investigation with a focus on the interactions between the organic cations and the inorganic cage.
Ivanovska +7 more
openaire +4 more sources
AbstractThe dynamic evolution of the vibrational interactions in the prototypical CH3NH3PbI3 was studied through a comprehensive experimental and theoretical investigation with a focus on the interactions between the organic cations and the inorganic cage.
Ivanovska +7 more
openaire +4 more sources
Nanotechnology, 2020
Incorporating formamidinium (FA) into methylammonium (MA) based perovskite has brought significant thermal and environmental stability including best device performance. It has been shown that addition of Cesium (Cs) makes perovskite robust in terms of thermodynamic stability as well.
Pravakar P Rajbhandari, Tara P Dhakal
openaire +2 more sources
Incorporating formamidinium (FA) into methylammonium (MA) based perovskite has brought significant thermal and environmental stability including best device performance. It has been shown that addition of Cesium (Cs) makes perovskite robust in terms of thermodynamic stability as well.
Pravakar P Rajbhandari, Tara P Dhakal
openaire +2 more sources
Nanotechnology, 2020
Abstract The methylammonium (MA) and formamidinium (FA) are the most commonly used organic cations in perovskite solar cells (PSCs), whereas the impact of size and polarity differences between these two on the photovoltaic performances has been rarely revealed.
Xinlu Guo +5 more
openaire +2 more sources
Abstract The methylammonium (MA) and formamidinium (FA) are the most commonly used organic cations in perovskite solar cells (PSCs), whereas the impact of size and polarity differences between these two on the photovoltaic performances has been rarely revealed.
Xinlu Guo +5 more
openaire +2 more sources
Methylammonium cation deficient surface for enhanced binding stability at TiO2/CH3NH3PbI3 interface
Nano Research, 2016Heterojunction interfaces in perovskite solar cells play an important role in enhancing their photoelectric properties and stability. Till date, the precise lattice arrangement at TiO2/CH3NH3PbI3 heterojunction interfaces has not been investigated clearly.
Xin Xu +7 more
openaire +1 more source
Components of the interaction energy of benzene with Na+ and methylammonium cations
Journal of Molecular Structure: THEOCHEM, 2001The results of ab initio computations including correlation (MP2) performed on the complexes of Na+, monomethylammonium (MMA) and tetramethylammonium (TMA) with a same ligand, benzene, are compared at the same theoretical level (double-zeta basis set, with polarization functions optimized on molecular polarizabilities).
A Pullman, G Berthier, R Savinelli
openaire +1 more source