All-liquid-phase reaction mechanism enabling cryogenic Li–S batteries

Z Wang, H Ji, L Zhou, X Shen, L Gao, J Liu, T Yang… - ACS …, 2021‏ - ACS Publications
The sluggish solid–solid conversion kinetics from Li2S4 to Li2S during discharge is
considered the main problem for cryogenic Li–S batteries. Herein, an all-liquid-phase …

Statistical quasi-particle theory for open quantum systems

HD Zhang, RX Xu, X Zheng, YJ Yan - Molecular Physics, 2018‏ - Taylor & Francis
This paper presents a comprehensive account on the recently developed dissipaton–
equation–of–motion (DEOM) theory. This is a statistical quasi-particle theory for quantum …

Low-temperature Li-S batteries enabled by all amorphous conversion process of organosulfur cathode

Z Wang, X Shen, S Li, Y Wu, T Yang, J Liu… - Journal of Energy …, 2022‏ - Elsevier
The high degree of crystallinity of discharging intermediates of Li-S batteries (Li 2 S 2/Li 2 S)
causes a severe capacity attenuation at low temperatures. Herein, a sulfur-rich polymer is …

Highly efficient and accurate sum-over-poles expansion of Fermi and Bose functions at near zero temperatures: Fano spectrum decomposition scheme

L Cui, HD Zhang, X Zheng, RX Xu… - The Journal of chemical …, 2019‏ - pubs.aip.org
The Fano spectrum decomposition (FSD) scheme is proposed as an efficient and accurate
sum-over-poles expansion of Fermi and Bose functions at cryogenic temperatures. The new …

Precise control of local spin states in an adsorbed magnetic molecule with an STM tip: Theoretical insights from first-principles-based simulation

X Wang, L Yang, LZ Ye, X Zheng… - The Journal of Physical …, 2018‏ - ACS Publications
The precise tuning of local spin states in adsorbed organometallic molecules by a
mechanically controlled scanning tunneling microscope (STM) tip has become a focus of …

Equilibrium and transient thermodynamics: A unified dissipaton-space approach

H Gong, Y Wang, HD Zhang, Q Qiao, RX Xu… - The Journal of …, 2020‏ - pubs.aip.org
This work presents a unified dissipaton-equation-of-motion (DEOM) theory and its
evaluations on the Helmholtz free energy change due to the isotherm mixing of two isolated …

Hierarchical equations of motion method based on Fano spectrum decomposition for low temperature environments

HD Zhang, L Cui, H Gong, RX Xu, X Zheng… - The Journal of chemical …, 2020‏ - pubs.aip.org
The hierarchical equations of motion (HEOM) method has become one of the most popular
methods for the studies of the open quantum system. However, its applicability to systems at …

Low-frequency logarithmic discretization of the reservoir spectrum for improving the efficiency of hierarchical equations of motion approach

LZ Ye, HD Zhang, Y Wang, X Zheng… - The Journal of Chemical …, 2017‏ - pubs.aip.org
An efficient low-frequency logarithmic discretization (LFLD) scheme for the decomposition of
fermionic reservoir spectrum is proposed for the investigation of quantum impurity systems …

Open quantum systems with nonlinear environmental backactions: Extended dissipaton theory vs core-system hierarchy construction

ZH Chen, Y Wang, RX Xu, YJ Yan - The Journal of Chemical Physics, 2023‏ - pubs.aip.org
In this paper, we present a comprehensive account of quantum dissipation theories with the
quadratic environment couplings. The theoretical development includes the Brownian …

Fokker–Planck quantum master equation for mixed quantum–semiclassical dynamics

JJ Ding, Y Wang, HD Zhang, RX Xu, X Zheng… - The Journal of …, 2017‏ - pubs.aip.org
We revisit Caldeira–Leggett's quantum master equation representing mixed quantum–
classical theory, but with limited applications. Proposed is a Fokker–Planck quantum master …