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The development of next generation perovskite-based optoelectronic devices relies critically on the understanding of the interaction between charge carriers and the polar lattice in out-of-equilibrium conditions. While it has become…

Hybrid lead-halide perovskites have emerged as an excellent class of photovoltaic materials. Recent reports suggest that the organic molecular cation is responsible for local polar fluctuations that inhibit carrier recombination. We combine…

Here we develop a microscopic approach aimed at the description of a suite of physical effects related to carrier transport in, and the optical properties of, halide perovskites. Our theory is based on the description of the nuclear…

Materials Science · Physics 2018-11-13 Matthew Z. Mayers , Liang Z. Tan , David A. Egger , Andrew M. Rappe , David R. Reichman

Polarons play a major role in the description of optical, electrical and dielectrical properties of several ferroelectric oxides. The motion of those particles occur by elementary hops among the material lattice sites. In order to compute…

Materials Science · Physics 2024-10-17 Anton Pfannstiel , Mirco imlau , Marco Bazzan , Laura Vittadello

The migration motion of defects in metal halide perovskites quantum dots (MHPQDs) results in charge-carrier trapping become more complicated. We study two-step trapping mediated by mobile defects between the ground state of MHPQDs and a…

Mesoscale and Nanoscale Physics · Physics 2023-04-12 Xiao-Yi Liu , Wei-Ping Li , Yu Cui , Shao-Juan Li , Ran-Bo Yang , Zhi-Qing Li , Zi-Wu Wang

The microscopic origin of slow carrier cooling in lead-halide perovskites remains debated, and has direct implications for applications. Slow carrier cooling has been attributed to either polaron formation or a hot-phonon bottleneck effect…

Pnictogen chalcohalides (MChX, M = Bi, Sb; Ch = S, Se; X = I, Br) represent an emerging class of nontoxic photovoltaic absorbers, valued for their favorable synthesis conditions and excellent optoelectronic properties. Despite their…

Using long C_{N}H_{2} conjugated carbon chains with the polyynic structure as prototypical examples of one-dimensional (1D) semiconductors, we discuss self-localization of excess charge carriers into 1D large polarons in the presence of the…

Materials Science · Physics 2009-11-13 M. L. Mayo , Yu. N. Gartstein

The study of lead halide perovskite nanocrystal based light-emitting diodes (LEDs) has advanced significantly, with notable improvements in stability and optical properties. However, optimizing charge carrier injection and transport remains…

In this work, we revisit the issue of the nature of electronic transport in nickel oxide (NiO) and show that the widely used model of free small polaron hopping, initially raised to characterize transport in high-purity samples, is not…

Other Condensed Matter · Physics 2019-06-26 Robert Karsthof , Marius Grundmann , Markus Arthur Anton , Friedrich Kremer

Lattice defects affect the long-term stability of halide perovskite solar cells. Whereas simple point defects, i.e., atomic interstitials and vacancies, have been studied in great detail, here we focus on compound defects that are more…

Materials Science · Physics 2022-09-09 Haibo Xue , José Manuel Vicent-Luna , Shuxia Tao , Geert Brocks

For the intrinsic carriers of MAPbBr$_{3}$, the temperature $T$ dependent mobility $\mu(T)$ of behaves like $\mu\propto T^{-1/2}$ in piezoelectric tetragonal phase, $\mu\propto T^{-1.4}$ in non-piezoelectric cubic phase. But for the…

Materials Science · Physics 2018-05-07 Ming-Hui Zhang , Ming-Liang Zhang

As the race towards higher efficiency for inorganic/organic hybrid perovskite solar cells (PSCs) is becoming highly competitive, a design scheme to maximize carrier transport towards higher power efficiency has been urgently demanded. Here,…

Materials Science · Physics 2018-01-30 Chang Woo Myung , Jeonghun Yun , Geunsik Lee , Kwang S. Kim

Halide perovskites have shown great potential for light emission and photovoltaic applications due to their remarkable electronic properties and compatibility with cost-effective fabrication techniques. Although the device performances are…

Layered halide perovskites have emerged as potential alternatives to three-dimensional halide perovskites due to their improved stability and larger material phase space, allowing fine-tuning of structural, electronic, and optical…

We present an experimental and theoretical viewpoint on the electronic carrier mobilities of typical hybrid organic-inorganic perovskites (HOIPs). While these mobilities are often quoted as high, a review of them shows that although…

Materials Science · Physics 2018-07-17 Thomas M. Brenner , David A. Egger , Andrew M. Rappe , Leeor Kronik , Gary Hodes , David Cahen

Predicting and explaining charge carrier transport in halide perovskites is a formidable challenge because of the unusual vibrational and electron-phonon coupling properties of these materials. This study explores charge carrier transport…

Materials Science · Physics 2025-05-27 Frederik Vonhoff , Maximilian J. Schilcher , David R. Reichman , David A. Egger

Acceptor-doped perovskite oxides like BaZrO$_3$ are showing great potential as materials for renewable energy technologies where hydrogen acts an energy carrier, such as solid oxide fuel cells and hydrogen separation membranes. While ionic…

Materials Science · Physics 2016-08-24 Anders Lindman , Paul Erhart , Göran Wahnström

Perovskite solar cells (PSCs) represent a breakthrough in photovoltaic technology, combining high power conversion efficiencies (PCEs), ease of fabrication, and tunable optoelectronic properties. However, their commercial viability is…

Materials Science · Physics 2025-06-30 Dilshod Nematov

The presence of hot carriers is presented in the operational properties of an (FA,Cs)Pb(I, Br, Cl)3 solar cell at ambient temperatures and under practical solar concentration. At 100 K, clear evidence of hot carriers is observed in both the…