Construction of high accuracy machine learning interatomic potential for surface/interface of nanomaterials—A review

K Wan, J He, X Shi - Advanced Materials, 2024 - Wiley Online Library
The inherent discontinuity and unique dimensional attributes of nanomaterial surfaces and
interfaces bestow them with various exceptional properties. These properties, however, also …

[HTML][HTML] The physics behind water irregularity

CQ Sun, Y Huang, X Zhang, Z Ma, B Wang - Physics Reports, 2023 - Elsevier
The notion of asymmetrical Hydrogen Bond (O: HO) Cooperativity and Polarizability (HBCP)
has enabled exploration of the core physics behind irregularities of water and ice …

Temperature-pressure phase diagram of confined monolayer water/ice at first-principles accuracy with a machine-learning force field

B Lin, J Jiang, XC Zeng, L Li - Nature Communications, 2023 - nature.com
Understanding the phase behaviour of nanoconfined water films is of fundamental
importance in broad fields of science and engineering. However, the phase behaviour of the …

Mediating triple ions migration behavior via a fluorinated separator interface toward highly reversible aqueous Zn batteries

F Shen, H Du, H Qin, Z Wei, W Kuang, N Hu, W Lv, Z Yi… - Small, 2024 - Wiley Online Library
Rampant dendrite growth, electrode passivation and severe corrosion originate from the
uncontrolled ions migration behavior of Zn2+, SO42−, and H+, which are largely …

Electron confinement promoted the electric double layer effect of BiOI/β-Bi2O3 in photocatalytic water splitting

L Shan, Z Fang, G Ding, Z Shi, L Dong, D Li… - Journal of Colloid and …, 2024 - Elsevier
In the realm of photocatalysis, understanding the interface issues (solid/solid and
solid/liquid) inherent in heterojunction at the atomic level is the ultimate for engineering an …

Effect of ion-specific water structures at metal surfaces on hydrogen production

Y Tian, B Huang, Y Song, Y Zhang, D Guan… - Nature …, 2024 - nature.com
Water structures at electrolyte/electrode interfaces play a crucial role in determining the
selectivity and kinetics of electrochemical reactions. Despite extensive experimental and …

Full solar spectrum-driven Cu2O/PDINH heterostructure with enhanced photocatalytic antibacterial activity and mechanism insight

C Ma, W Wang, W Li, T Sun, H Feng, G Lv… - Journal of Hazardous …, 2023 - Elsevier
Marine biofouling hazards the sustainable development of the environment and has become
a potential threat to environmental and ecological security. Photocatalytic antibacterial …

Understanding and Tuning the Effects of H2O on Catalytic CO and CO2 Hydrogenation

M Wang, G Zhang, H Wang, Z Wang, Y Zhou… - Chemical …, 2024 - ACS Publications
Catalytic CO x (CO and CO2) hydrogenation to valued chemicals is one of the promising
approaches to address challenges in energy, environment, and climate change. H2O is an …

Proton batteries shape the next energy storage

C Huang, W Zhang, W Zheng - Energy Storage Materials, 2023 - Elsevier
Merited by its fast proton diffusion kinetics, proton batteries are qualified as one of the most
next-generation energy storage devices. The recent emergence and explosive development …

Nanoscale chemical characterization of materials and interfaces by tip-enhanced Raman spectroscopy

YF Bao, MY Zhu, XJ Zhao, HX Chen, X Wang… - Chemical Society …, 2024 - pubs.rsc.org
Materials and their interfaces are the core for the development of a large variety of fields,
including catalysis, energy storage and conversion. In this case, tip-enhanced Raman …