相关论文: A Consistent Picture of Charge Distribution in Red…

Understanding the electronic charge distribution around oxygen vacancies in transition metal and rare earth oxides is a scientific challenge of considerable technological importance. We show how significant information about the charge…

A two-dimensional small bias model has been developed for a patterned metal current collector $|$ mixed oxygen ion and electronic conductor (MIEC) $|$ patterned metal current collector electrochemical cell in a symmetric gas environment.…

The net-baryon number probability distribution and the related pressure and density are studied in the Cluster Expansion Model (CEM) and the obtained results are extrapolated to the domain of low temperatures. It is found that the rate of…

In the past two decades, geometric phases have provided a powerful new way of looking at quantum mechanical systems, manifesting themselves in subtle but observable ways. Here, we use them to define a versatile function ("distribution of…

The penetrations of lithium-ion batteries in transport, energy and communication systems are increasing rapidly. A meticulous model applicable for precise in-situ monitoring and convenient online controlling is in sought to bridge the gap…

This paper is the second part of a series of papers about empirical approaches to open circuit voltage (OCV) modeling and its performance comparison in lithium-ion batteries. The first part of the series introduced various sources of…

A semi-classical model describing the charge transfer collisions of $C_{60}$ fullerene with different slow ions has been developed to explain available experimental data. This data reveals multiple Breit-Wigner like peaks in the cross…

The single-particle contributions to the optical conductivity of the quasi-one-dimensional systems has been reexamined by using the gauge-invariant transverse microscopic approach. The valence electrons are described by a model with the…

Estimating the temperature distribution within Li-ion batteries during operation is critical for safety and control purposes. Although existing control-oriented thermal models - such as thermal equivalent circuits (TEC) - are…

The emergence of halide perovskites in photovoltaics has diversified the research on this material family and extended their application towards several fields in the optoelectronics, such as photo- and ionizing-radiation-detectors. One of…

This paper studies the bond valence method (BVM) and its application in the non-isovalent semiconductor alloy (GaN)$_{\rm{1-x}}$(ZnO)$_{\rm{x}}$. Particular attention is paid to the role of short-range order (SRO). A physical interpretation…

The empirical valence bond (EVB) method [J. Chem. Phys. 52, 1262 (1970)] has always embodied charge transfer processes. The mechanism of that behavior is examined here and recast for use as a new empirical potential energy surface for…

The RSCVn system Sigma Geminorum was observed by XMM-Newton on April 2001 during a large flare. We model the emission measure distribution (EMD) during the flare and during a quiescence period. In the flare, a two phase behaviour is found…

Fast dynamic processes between electrons in solids and a foreign atom represent a fundamental challenge for describing interactions in many-body systems and are a prerequisite for modelling materials modification. We experimentally…

Lithium-ion batteries are used to store energy in electric vehicles. Physical models based on electro-chemistry accurately predict the cell dynamics, in particular the state of charge. However, these models are nonlinear partial…

The subtle interplay of band topology and symmetry broken phase, induced by electron correlations, has immense contemporary relevance and potentially offers novel physical insights. Here, we demonstrate charge density wave (CDW) in bulk…

The distribution function of transmitted charge through a double-barrier junction is studied at zero temperature and at small applied voltage. Both a semiclassical model, in which the transport is described by jump rates, and a quantum…

The fate of electric dipoles inside a Fermi sea is an old issue, yet poorly-explored. Sr$_{1-x}$Ca$_x$TiO$_{3}$ hosts a robust but dilute ferroelectricity in a narrow ($0.002<x<0.02$) window of substitution. This insulator becomes metallic…

We present an {\it ab initio} analysis of electron conduction through a $C_{60}$ molecular device. Charge transfer from the device electrodes to the molecular region is found to play a crucial role in aligning the lowest unoccupied…

Equivalent Circuit Model(ECM)has been widelyused in battery modeling and state estimation because of itssimplicity, stability and interpretability.However, ECM maygenerate large estimation errors in extreme working conditionssuch as…