Mixed formamidinium–methylammonium lead iodide perovskite from first-principles: hydrogen-bonding impact on the electronic properties
Hybrid perovskites with mixed organic cations such as methylammonium (CH3NH3, MA)
and formamidinium (CH (NH2) 2, FA) have attracted interest due to their improved stability …
and formamidinium (CH (NH2) 2, FA) have attracted interest due to their improved stability …
Exploring Librational Pathways with on-the-Fly Machine-Learning Force Fields: Methylammonium Molecules in MAPbX3 (X = I, Br, Cl) Perovskites
M Bokdam, J Lahnsteiner… - The Journal of Physical …, 2021 - ACS Publications
Two seemingly similar crystal structures of the low-temperature (∼ 100 K) MAPbX3 (X= I, Br,
Cl) perovskites, but with different relative methylammonium (MA) ordering, have appeared …
Cl) perovskites, but with different relative methylammonium (MA) ordering, have appeared …
Low-cost alternatives to the Bethe-Salpeter equation: Towards simple hybrid functionals for excitonic effects in solids
The Bethe-Salpeter equation (BSE) is the standard computational method for optical
excitations in solids, including excitonic effects. In this paper we explore ways to reduce the …
excitations in solids, including excitonic effects. In this paper we explore ways to reduce the …
Carrier-Specific Hot Phonon Bottleneck in CH3NH3PbI3 Revealed by Femtosecond XUV Absorption
Femtosecond carrier cooling in the organohalide perovskite semiconductor CH3NH3PbI3 is
measured using extreme ultraviolet (XUV) and optical transient absorption spectroscopy …
measured using extreme ultraviolet (XUV) and optical transient absorption spectroscopy …
Graphene-like Dispersion and Strong Optical Absorption in Two-Dimensional RP-type Sr3Ti2S7 Perovskite
H Liu, R Gao, J Yang, RD Banthia, F Yang… - Crystal Growth & …, 2023 - ACS Publications
Two-dimensional (2D) Ruddlesden–Popper (RP) perovskite alloys have recently become
attractive due to many desired physical properties originating from distinct van der Waals …
attractive due to many desired physical properties originating from distinct van der Waals …
Optical properties of : A comparative study between hybrid time-dependent density-functional theory and the Bethe-Salpeter equation
J Sun, CA Ullrich - Physical Review Materials, 2020 - APS
The cesium copper halides CsCu 2 X 3 (X= Cl, Br, and I) are a class of all-inorganic
perovskites with interesting and potentially useful optical properties, characterized by distinct …
perovskites with interesting and potentially useful optical properties, characterized by distinct …
Efficient approach for optical and morphological characterization of hybrid perovskite films based on reflectance and transmittance measurements
Organo-inorganic perovskites (OIPs) have been intensively studied due to their potential
application in low-cost, high-efficiency energy conversion in solar cells. Despite the great …
application in low-cost, high-efficiency energy conversion in solar cells. Despite the great …
[PDF][PDF] Estudio experimental y computacional de perovskitas híbridas orgánicas-inorgánicas para la fabricación de celdas solares de última generación
MA Senno - 2022 - researchgate.net
Las perovskitas híbridas orgánicas-inorgánicas, de fórmula ABX3, siendo A un catión
orgánico (Metilamonio, MA+ y Formamidino, FA+), B un metal (Pb, Sn) y X un haluro (Cl, Br …
orgánico (Metilamonio, MA+ y Formamidino, FA+), B un metal (Pb, Sn) y X un haluro (Cl, Br …
[PDF][PDF] Ab initio computational modeling of surface supercells of pseudo-cubic halide perovskites
L Rodriguez - 2023 - digital.library.txstate.edu
Hybrid organic-inorganic perovskites (HP) such as methylammonium lead halide (MHP) are
an exciting class of semiconductors with compelling advantages for solar cell applications …
an exciting class of semiconductors with compelling advantages for solar cell applications …
Effect of lattice polarisability in optical properties of methylammonium lead iodide by modified Becke-Johnson functionals and Bethe-Salpeter equation
A Thatribud, A Rassamesard, W Sukmas… - Computational Materials …, 2021 - Elsevier
In this work, we used a non-local functional proposed by Tran-Blaha (TB09) with an
inclusion of spin-orbit coupling (SOC) in band structure determinations of cubic …
inclusion of spin-orbit coupling (SOC) in band structure determinations of cubic …