From solution to thin film: molecular assembly of π-conjugated systems and impact on (opto) electronic properties

A Khasbaatar, Z Xu, JH Lee… - Chemical …, 2023 - ACS Publications
The assembly of conjugated organic molecules from solution to solid-state plays a critical
role in determining the thin film morphology and optoelectronic properties of solution …

The entropy-controlled strategy in self-assembling systems

X Zhang, X Dai, L Gao, D Xu, H Wan, Y Wang… - Chemical Society …, 2023 - pubs.rsc.org
Self-assembly of various building blocks has been considered as a powerful approach to
generate novel materials with tailorable structures and optimal properties. Understanding …

Modeling and simulations of polymers: a roadmap

TE Gartner III, A Jayaraman - Macromolecules, 2019 - ACS Publications
Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …

High‐entropy microdomain interlocking polymer electrolytes for advanced all‐solid‐state battery chemistries

Y Su, X Rong, H Li, X Huang, L Chen, B Liu… - Advanced …, 2023 - Wiley Online Library
All‐solid‐state polymer electrolytes (ASPEs) with excellent processivity are considered one
of the most forward‐looking materials for large‐scale industrialization. However, the …

Driving force and pathway in polyelectrolyte complex coacervation

S Chen, ZG Wang - … of the National Academy of Sciences, 2022 - National Acad Sciences
There is notable discrepancy between experiments and coarse-grained model studies
regarding the thermodynamic driving force in polyelectrolyte complex coacervation …

Multi-scale computer-aided design and photo-controlled macromolecular synthesis boosting uranium harvesting from seawater

Z Liu, Y Lan, J Jia, Y Geng, X Dai, L Yan, T Hu… - Nature …, 2022 - nature.com
By integrating multi-scale computational simulation with photo-regulated macromolecular
synthesis, this study presents a new paradigm for smart design while customizing polymeric …

Rational design of dna hydrogels based on molecular dynamics of polymers

Y Li, R Chen, B Zhou, Y Dong, D Liu - Advanced Materials, 2024 - Wiley Online Library
In recent years, DNA has emerged as a fascinating building material to engineer hydrogel
due to its excellent programmability, which has gained considerable attention in biomedical …

Nonequilibrium processes in polymer membrane formation: Theory and experiment

M Müller, V Abetz - Chemical reviews, 2021 - ACS Publications
Porous polymer and copolymer membranes are useful for ultrafiltration of functional
macromolecules, colloids, and water purification. In particular, block copolymer membranes …

Hard–soft segment synergism binder facilitates the implementation of practical sic600 electrodes

C Gao, H Zhang, P Mu, R Wu, X Zhang… - Advanced Energy …, 2023 - Wiley Online Library
As an emerging anode material for commercialization, the silicon (or SiOx)/graphite
composite (SiC) anode faces bottlenecks such as large volume expansion and short cycle …

100th anniversary of macromolecular science viewpoint: Opportunities in the physics of sequence-defined polymers

SL Perry, CE Sing - ACS Macro Letters, 2020 - ACS Publications
Polymer science has been driven by ever-increasing molecular complexity, as polymer
synthesis expands an already-vast palette of chemical and architectural parameter space …