Dilute alloys based on Au, Ag, or Cu for efficient catalysis: from synthesis to active sites
The development of new catalyst materials for energy-efficient chemical synthesis is critical
as over 80% of industrial processes rely on catalysts, with many of the most energy-intensive …
as over 80% of industrial processes rely on catalysts, with many of the most energy-intensive …
How machine learning can accelerate electrocatalysis discovery and optimization
Advances in machine learning (ML) provide the means to bypass bottlenecks in the
discovery of new electrocatalysts using traditional approaches. In this review, we highlight …
discovery of new electrocatalysts using traditional approaches. In this review, we highlight …
Insights into ionic liquids: From Z-bonds to quasi-liquids
Ionic liquids (ILs) hold great promise in the fields of green chemistry, environmental science,
and sustainable technology due to their unique properties, such as a tailorable structure, the …
and sustainable technology due to their unique properties, such as a tailorable structure, the …
Development of Deep Potentials of Molten MgCl2–NaCl and MgCl2–KCl Salts Driven by Machine Learning
T Xu, X Li, Y Wang, Z Tang - ACS Applied Materials & Interfaces, 2023 - ACS Publications
Molten MgCl2-based chlorides have emerged as potential thermal storage and heat transfer
materials due to high thermal stabilities and lower costs. In this work, deep potential …
materials due to high thermal stabilities and lower costs. In this work, deep potential …
Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt
LiF–NaF–ZrF4 multicomponent molten salts are promising candidate coolants for advanced
clean energy systems owing to their desirable thermophysical and transport properties …
clean energy systems owing to their desirable thermophysical and transport properties …
Solving the structure of “single-atom” catalysts using machine learning–assisted XANES analysis
“Single-atom” catalysts (SACs) have demonstrated excellent activity and selectivity in
challenging chemical transformations such as photocatalytic CO2 reduction. For …
challenging chemical transformations such as photocatalytic CO2 reduction. For …
Catalytic alkali and transition metal cations to produce low-emission hydrogen from methane pyrolysis
A Sheil, M Konarova, S Smart - ACS Sustainable Chemistry & …, 2023 - ACS Publications
Methane pyrolysis provides an opportunity to utilize abundant fossil fuel resources to
produce high quantities of hydrogen with low CO2 emissions. Using a catalytic molten salt …
produce high quantities of hydrogen with low CO2 emissions. Using a catalytic molten salt …
Speciation of Nanocatalysts Using X-ray Absorption Spectroscopy Assisted by Machine Learning
The structure and morphology of supported nanoparticle catalysts play important roles in
many industrial reactions. Recent progress has identified key aspects of structure–activity …
many industrial reactions. Recent progress has identified key aspects of structure–activity …
Chemistry dissolved in ionic liquids. A theoretical perspective
The theoretical treatment of ionic liquids must focus now on more realistic models while at
the same time keeping an accurate methodology when following recent ionic liquids …
the same time keeping an accurate methodology when following recent ionic liquids …
Facile and rapid synthesis of hierarchical LDHs array by universal molten salt with bound water toward efficient oxygen evolution electrocatalysis
Y Chen, Y Cui, G Qian - Chemical Engineering Journal, 2023 - Elsevier
Layered double hydroxide (LDH) is a kind of intensive used and highly efficient
electrocatalyst. However, the traditional ways to prepare LDHs are time-consuming and …
electrocatalyst. However, the traditional ways to prepare LDHs are time-consuming and …