Classical dynamical density functional theory: from fundamentals to applications
Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern
statistical mechanics. It is an extension of the highly successful method of classical density …
statistical mechanics. It is an extension of the highly successful method of classical density …
Assembly and phase transitions of colloidal crystals
Micrometre-sized colloidal particles can be viewed as large atoms with tailorable size,
shape and interactions. These building blocks can assemble into extremely rich structures …
shape and interactions. These building blocks can assemble into extremely rich structures …
Synergistic effects of phase transition and electron‐spin regulation on the electrocatalysis performance of ternary nitride
Transition metal nitrides (TMNs) have great potential use in energy storage and conversion
owing to tunable electronic and bonding characteristics. Novel iron rich nitrides …
owing to tunable electronic and bonding characteristics. Novel iron rich nitrides …
Mechanistic Insights into the Selective Electroreduction of Carbon Dioxide to Ethylene on Cu2O-Derived Copper Catalysts
AD Handoko, CW Ong, Y Huang, ZG Lee… - The Journal of …, 2016 - ACS Publications
In this work, we made a comprehensive investigation to unravel the underlying causes for
the selectivity of CO2 electroreduction toward ethylene on Cu2O-derived Cu catalysts …
the selectivity of CO2 electroreduction toward ethylene on Cu2O-derived Cu catalysts …
Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview
Here, we review the basic concepts and applications of the phase-field-crystal (PFC)
method, which is one of the latest simulation methodologies in materials science for …
method, which is one of the latest simulation methodologies in materials science for …
Efficient Charge Transfer and Effective Active Sites in Lead‐Free Halide Double Perovskite S‐Scheme Heterojunctions for Photocatalytic H2 Evolution
H Lv, H Yin, N Jiao, C Yuan, S Weng, K Zhou… - Small …, 2023 - Wiley Online Library
The practical application of lead‐free double perovskite Cs2AgBiBr6 in photocatalytic H2
evolution is still restricted due to the low activity and poor stability. The rational design of …
evolution is still restricted due to the low activity and poor stability. The rational design of …
Atomically resolved three-dimensional structures of electrolyte aqueous solutions near a solid surface
Interfacial liquid layers play a central role in a variety of phenomena ranging from friction to
molecular recognition. Liquids near a solid surface form an interfacial layer where the …
molecular recognition. Liquids near a solid surface form an interfacial layer where the …
Metal shields with crystallographic discrepancies incorporated into integrated architectures for stable lithium metal batteries
KY Cho, S Cho, GY Jung, KS Eom - Energy & Environmental Science, 2024 - pubs.rsc.org
3D-structured hosts can play a significant role in improving the stability of metal-based
rechargeable batteries with high-energy density, such as lithium metal batteries (LMBs) …
rechargeable batteries with high-energy density, such as lithium metal batteries (LMBs) …
Fast crystal growth at ultra-low temperatures
It is believed that the slow liquid diffusion and geometric frustration brought by a rapid, deep
quench inhibit fast crystallization and promote vitrification. Here we report fast crystal growth …
quench inhibit fast crystallization and promote vitrification. Here we report fast crystal growth …
[HTML][HTML] Phase-field modeling of crystal nucleation in undercooled liquids–A review
We review how phase-field models contributed to the understanding of various aspects of
crystal nucleation, including homogeneous and heterogeneous processes, and their role in …
crystal nucleation, including homogeneous and heterogeneous processes, and their role in …