Electrocatalysis in alkaline media and alkaline membrane-based energy technologies
Hydrogen energy-based electrochemical energy conversion technologies offer the promise
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …
Molecular-scale mechanisms of CO2 mineralization in nanoscale interfacial water films
The calamitous impacts of unabated carbon emission from fossil-fuel-burning energy
infrastructure call for accelerated development of large-scale CO2 capture, utilization and …
infrastructure call for accelerated development of large-scale CO2 capture, utilization and …
Phase diagram of a deep potential water model
Using the Deep Potential methodology, we construct a model that reproduces accurately the
potential energy surface of the SCAN approximation of density functional theory for water …
potential energy surface of the SCAN approximation of density functional theory for water …
Interfacial water engineering boosts neutral water reduction
Hydrogen evolution reaction (HER) in neutral media is of great practical importance for
sustainable hydrogen production, but generally suffers from low activities, the cause of …
sustainable hydrogen production, but generally suffers from low activities, the cause of …
Understanding hydrogen electrocatalysis by probing the hydrogen-bond network of water at the electrified Pt–solution interface
Rational construction of the electrode–solution interface where electrochemical processes
occur is of paramount importance in electrochemistry. Efforts to gain better control and …
occur is of paramount importance in electrochemistry. Efforts to gain better control and …
Attenuating Water Activity Through Impeded Proton Transfer Resulting from Hydrogen Bond Enhancement Effect for Fast and Ultra‐Stable Zn Metal Anode
Q Meng, Q Bai, R Zhao, P Cao, G Zhang… - Advanced Energy …, 2023 - Wiley Online Library
The high activity of water molecules induces notorious side reactions that seriously impair
the stability of the Zn metal anode. Inspired by the mechanism of proton transfer in an …
the stability of the Zn metal anode. Inspired by the mechanism of proton transfer in an …
Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning
For 35 years, ab initio molecular dynamics (AIMD) has been the method of choice for
modeling complex atomistic phenomena from first principles. However, most AIMD …
modeling complex atomistic phenomena from first principles. However, most AIMD …
Ultrafast rectifying counter-directional transport of proton and metal ions in metal-organic framework–based nanochannels
Bioinspired control of ion transport at the subnanoscale has become a major focus in the
fields of nanofluidics and membrane separation. It is fundamentally important to achieve …
fields of nanofluidics and membrane separation. It is fundamentally important to achieve …
Visualizing Eigen/Zundel cations and their interconversion in monolayer water on metal surfaces
The nature of hydrated proton on solid surfaces is of vital importance in electrochemistry,
proton channels, and hydrogen fuel cells but remains unclear because of the lack of atomic …
proton channels, and hydrogen fuel cells but remains unclear because of the lack of atomic …
Free energy of proton transfer at the water–TiO 2 interface from ab initio deep potential molecular dynamics
TiO2 is a widely used photocatalyst in science and technology and its interface with water is
important in fields ranging from geochemistry to biomedicine. Yet, it is still unclear whether …
important in fields ranging from geochemistry to biomedicine. Yet, it is still unclear whether …