Molecular mechanism of aggregation‐induced emission

Q Peng, Z Shuai - Aggregate, 2021 - Wiley Online Library
Deep understanding of the inherent luminescence mechanism is essential for the
development of aggregation‐induced emission (AIE) materials and applications. We first …

Comprehensive understandings of hydrogen bond chemistry in aqueous batteries

M Li, X Wang, J Meng, C Zuo, B Wu, C Li… - Advanced …, 2024 - Wiley Online Library
Aqueous batteries are emerging as highly promising contenders for large‐scale grid energy
storage because of uncomplicated assembly, exceptional safety, and cost‐effectiveness …

Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems

T Lu, Q Chen - Journal of computational chemistry, 2022 - Wiley Online Library
The powerful independent gradient model (IGM) method has been increasingly popular in
visual analysis of intramolecular and intermolecular interactions in recent years. However …

A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

T Lu - The Journal of Chemical Physics, 2024 - pubs.aip.org
Analysis of electron wavefunction is a key component of quantum chemistry investigations
and is indispensable for the practical research of many chemical problems. After more than …

Modulating electrolyte structure for ultralow temperature aqueous zinc batteries

Q Zhang, Y Ma, Y Lu, L Li, F Wan, K Zhang… - Nature …, 2020 - nature.com
Rechargeable aqueous batteries are an up-and-coming system for potential large-scale
energy storage due to their high safety and low cost. However, the freeze of aqueous …

Intermolecular interaction characteristics of the all-carboatomic ring, cyclo [18] carbon: Focusing on molecular adsorption and stacking

Z Liu, T Lu, Q Chen - Carbon, 2021 - Elsevier
Recently, an intriguing all-carboatomic ring, cyclo [18] carbon, was observed in the
condensed phase for the first time, and it quickly attracted widespread attention. In this …

Hydrogen-bond chemistry in rechargeable batteries

T Sun, Q Nian, X Ren, Z Tao - Joule, 2023 - cell.com
Since the hydrogen bond (HB) was proposed and confirmed by chemists in the 1920s, it has
played a very important role in the fields of chemistry, biology, physics, and materials …

Achieving Tunable Organic Afterglow and UV‐Irradiation‐Responsive Ultralong Room‐Temperature Phosphorescence from Pyridine‐Substituted Triphenylamine …

S **ong, Y **ong, D Wang, Y Pan, K Chen… - Advanced …, 2023 - Wiley Online Library
Amorphous polymers with ultralong room‐temperature phosphorescence (RTP) are highly
promising for various applications. Particularly, polymer‐based RTP materials with multiple …

Simple, efficient, and universal energy decomposition analysis method based on dispersion-corrected density functional theory

T Lu, Q Chen - The Journal of Physical Chemistry A, 2023 - ACS Publications
Energy decomposition analysis (EDA) is an important class of methods to explore the nature
of interaction between fragments in a chemical system. It can decompose the interaction …

Chaotropic anion and fast-kinetics cathode enabling low-temperature aqueous Zn batteries

Q Zhang, K **a, Y Ma, Y Lu, L Li, J Liang… - ACS Energy …, 2021 - ACS Publications
Operating at low temperatures is a great challenge that hinders the practical application of
aqueous batteries at subzero temperatures. The frozen electrolyte and the limited capacity of …