Charge (physics)
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Charge-Carrier Mobilities in Metal Halide Perovskites: Fundamental Mechanisms and Limits Open
Perovskite photovoltaic cells have seen a remarkable rise in power conversion efficiencies over a period of only a few years. Much of this performance is underpinned by the favorable charge-carrier mobilities in metal halide perovskites (M…
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Recent advances in twisted intramolecular charge transfer (TICT) fluorescence and related phenomena in materials chemistry Open
Twisted intramolecular charge transfer (TICT) is an electron transfer process that occurs upon photoexcitation in molecules that usually consist of a donor and acceptor part linked by a single bond.
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Perovskites for Next-Generation Optical Sources Open
Next-generation displays and lighting technologies require efficient optical sources that combine brightness, color purity, stability, substrate flexibility. Metal halide perovskites have potential use in a wide range of applications, for …
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1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations Open
The quality of the 1.14*CM1A and 1.20*CM5 charge models was evaluated for calculations of free energies of hydration. For a set of 426 neutral molecules, 1.14*CM1A and 1.20*CM5 yield MADs of 1.26 and 1.21 kcal/mol, respectively. The 1.14*C…
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Edge Modes, Degeneracies, and Topological Numbers in Non-Hermitian Systems Open
We analyze chiral topological edge modes in a non-Hermitian variant of the 2D Dirac equation. Such modes appear at interfaces between media with different "masses" and/or signs of the "non-Hermitian charge." The existence of these edge mod…
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Soft Hair on Black Holes Open
It has recently been shown that Bondi-van der Burg-Metzner-Sachs supertranslation symmetries imply an infinite number of conservation laws for all gravitational theories in asymptotically Minkowskian spacetimes. These laws require black ho…
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Large polarons in lead halide perovskites Open
Charge carriers in both hybrid and all-inorganic lead halide perovskites form large polarons.
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State of Charge Estimation for Lithium-Ion Batteries Using Model-Based and Data-Driven Methods: A Review Open
Lithium-ion battery is an appropriate choice for electric vehicle (EV) due to its promising features of high voltage, high energy density, low self-discharge and long lifecycles. The successful operation of EV is highly dependent on the op…
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A fast and high-quality charge model for the next generation general AMBER force field Open
The General AMBER Force Field (GAFF) has been broadly used by researchers all over the world to perform in silico simulations and modelings on diverse scientific topics, especially in the field of computer-aided drug design whose primary t…
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Revealing Charge Carrier Mobility and Defect Densities in Metal Halide Perovskites via Space-Charge-Limited Current Measurements Open
Space-charge-limited current (SCLC) measurements have been widely used to study the charge carrier mobility and trap density in semiconductors. However, their applicability to metal halide perovskites is not straightforward, due to the mix…
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It's a trap! On the nature of localised states and charge trapping in lead halide perovskites Open
The recent surge of scientific interest for lead halide perovskite semiconductors and optoelectronic devices has seen a mix of materials science sub-fields converge on the same “magical” crystal structure.
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Charge-Carrier Dynamics in 2D Hybrid Metal–Halide Perovskites Open
Hybrid metal-halide perovskites are promising new materials for use in solar cells; however, their chemical stability in the presence of moisture remains a significant drawback. Quasi two-dimensional (2D) perovskites that incorporate hydro…
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Efficient vacuum deposited p-i-n and n-i-p perovskite solar cells employing doped charge transport layers Open
Methylammonium lead halide perovskites have emerged as high performance photovoltaic materials. Most of these solar cells are prepared via solution-processing and record efficiencies (>20%) have been obtained employing perovskites with mix…
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Lattice strain causes non-radiative losses in halide perovskites Open
Halide perovskites are found to exhibit strain patterns over large areas, which influences the lifetimes of charge carriers.
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Spin-dependent charge transport through 2D chiral hybrid lead-iodide perovskites Open
Chiral molecules in Pb-halide 2D-layered films achieve up to 86% spin-polarized transport, enabling novel spintronic applications.
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Charge‐Induced Disorder Controls the Thermal Conductivity of Entropy‐Stabilized Oxides Open
Manipulating a crystalline material's configurational entropy through the introduction of unique atomic species can produce novel materials with desirable mechanical and electrical properties. From a thermal transport perspective, large di…
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Collapse of LiNi<sub>1–<i>x</i>–<i>y</i></sub>Co<sub><i>x</i></sub>Mn<sub><i>y</i></sub>O<sub>2</sub> Lattice at Deep Charge Irrespective of Nickel Content in Lithium-Ion Batteries Open
Volume variation and the associated mechanical fracture of electrode materials upon Li extraction/insertion are a main cause limiting lifetime performance of lithium-ion batteries. For LiNi1- x- yCo xMn yO2 (NCM) cathodes, abrupt anisotrop…
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Can slow-moving ions explain hysteresis in the current–voltage curves of perovskite solar cells? Open
We have developed a charge transport model that explicitly accounts for ion migration. This model has been used to interpret measured current–voltage characteristics that show hysteresis.
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The Role of the Interfaces in Perovskite Solar Cells Open
Organic–inorganic hybrid perovskite solar cells (HPSCs) have achieved an impressive power conversion efficiency (PCE) of 25.2% in 2019. At this stage, it is of paramount importance to understand in detail the working mechanism of these dev…
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Tutorial: Defects in semiconductors—Combining experiment and theory Open
Point defects affect or even completely determine physical and chemical properties of semiconductors. Characterization of point defects based on experimental techniques alone is often inconclusive. In such cases, the combination of experim…
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Joint Charge Storage for High‐Rate Aqueous Zinc–Manganese Dioxide Batteries Open
Aqueous rechargeable zinc–manganese dioxide batteries show great promise for large‐scale energy storage due to their use of environmentally friendly, abundant, and rechargeable Zn metal anodes and MnO 2 cathodes. In the literature various …
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Superior Charge Storage and Power Density of a Conducting Polymer-Modified Covalent Organic Framework Open
The low conductivity of two-dimensional covalent organic frameworks (2D COFs), and most related coordination polymers, limits their applicability in optoelectronic and electrical energy storage (EES) devices. Although some networks exhibit…
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Classification of Exceptional Points and Non-Hermitian Topological Semimetals Open
Exceptional points are universal level degeneracies induced by non-Hermiticity. Whereas past decades witnessed their new physics, the unified understanding has yet to be obtained. Here we present the complete classification of generic topo…
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The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials Open
Charge transport in crystalline organic semiconductors is intrinsically limited by the presence of large thermal molecular motions, which are a direct consequence of the weak van der Waals intermolecular interactions. These lead to an orig…
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Resonant X-Ray Scattering Studies of Charge Order in Cuprates Open
X-ray techniques have been used for more than a century to study the atomic and electronic structure in practically any type of material. The advent of correlated electron systems, in particular complex oxides, brought about new scientific…
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Quantifying contact status and the air-breakdown model of charge-excitation triboelectric nanogenerators to maximize charge density Open
Surface charge density is the key factor for developing high performance triboelectric nanogenerators (TENG). The previously invented charge excitation TENG provides a most efficient way to achieve maximum charge output of a TENG device. H…
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Charge transfer rates and electron trapping at buried interfaces of perovskite solar cells Open
Identification of electronic processes at buried interfaces of charge-selective contacts is crucial for photovoltaic and photocatalysis research. Here, transient surface photovoltage (SPV) is used to study the passivation of different hole…
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Highly Distorted Chiral Two-Dimensional Tin Iodide Perovskites for Spin Polarized Charge Transport Open
Incorporating chiral organic molecules into organic/inorganic hybrid 2D metal-halide perovskites results in a novel family of chiral hybrid semiconductors with unique spin-dependent properties. The embedded chiral organic moieties induce a…
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RETRACTED: Metallic Conductivity in a Two-Dimensional Cobalt Dithiolene Metal–Organic Framework Open
Two-dimensional (2D) metal-organic frameworks (MOFs) have received a great deal of attention due to their relatively high charge carrier mobility and low resistivity. Here we report on the temperature-dependent charge transport properties …
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2018 Table of static dipole polarizabilities of the neutral elements in the periodic table Open
A 2018 update of the most accurate calculated and experimental static dipole polarizabilities of the neutral atoms in the Periodic Table from nuclear charge Z = 1 to 120 is given. Periodic trends are analyzed and discussed.