Machine learning for electrocatalyst and photocatalyst design and discovery
Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …
reducing the impact of global warming, and providing solutions to environmental pollution …
g‐C3N4‐Based 2D/2D Composite Heterojunction Photocatalyst
Employing semiconductor photocatalysis to transform solar energy into chemical energy
provides a practicable strategy for the alleviation of energy and environmental crisis …
provides a practicable strategy for the alleviation of energy and environmental crisis …
Review of carbon support coordination environments for single metal atom electrocatalysts (SACS)
W Song, C **ao, J Ding, Z Huang, X Yang… - Advanced …, 2024 - Wiley Online Library
This topical review focuses on the distinct role of carbon support coordination environment
of single‐atom catalysts (SACs) for electrocatalysis. The article begins with an overview of …
of single‐atom catalysts (SACs) for electrocatalysis. The article begins with an overview of …
[HTML][HTML] Application of machine learning in optimizing proton exchange membrane fuel cells: a review
R Ding, S Zhang, Y Chen, Z Rui, K Hua, Y Wu, X Li… - Energy and AI, 2022 - Elsevier
Proton exchange membrane fuel cells (PEMFCs) as energy conversion devices for
hydrogen energy are crucial for achieving an eco-friendly society, but their cost and …
hydrogen energy are crucial for achieving an eco-friendly society, but their cost and …
Double-Atom Catalysts Featuring Inverse Sandwich Structure for CO2 Reduction Reaction: A Synergetic First-Principles and Machine Learning Investigation
Electrocatalytic CO2 reduction reactions (CO2RR) based on scalable and highly efficient
catalysis provide an attractive strategy for reducing CO2 emissions. In this work, we …
catalysis provide an attractive strategy for reducing CO2 emissions. In this work, we …
Revisiting the universal principle for the rational design of single-atom electrocatalysts
The notion of descriptors has been widely used for assessing structure–activity relationships
for many types of heterogenous catalytic reaction, as well as in searching for highly active …
for many types of heterogenous catalytic reaction, as well as in searching for highly active …
A Feasible Strategy for Identifying Single‐Atom Catalysts Toward Electrochemical NO‐to‐NH3 Conversion
Combining NO removal and NH3 synthesis, electrochemical NO reduction reaction (NORR)
toward NH3 is considered as a novel and attractive approach. However, exploring suitable …
toward NH3 is considered as a novel and attractive approach. However, exploring suitable …
Electronic regulation of Pt single-atom catalysts via local coordination state adjustment for enhanced photocatalytic performance
Single-atom catalysts (SACs) are deemed as the ultimate ceiling route to release the full
potential of metal utilization efficiency, while the tougher challenge is to optimize the …
potential of metal utilization efficiency, while the tougher challenge is to optimize the …
Machine learning for design principles for single atom catalysts towards electrochemical reactions
Machine learning (ML) integrated density functional theory (DFT) calculations have recently
been used to accelerate the design and discovery of heterogeneous catalysts such as single …
been used to accelerate the design and discovery of heterogeneous catalysts such as single …
Single Ir atom anchored in pyrrolic-N4 doped graphene as a promising bifunctional electrocatalyst for the ORR/OER: a computational study
X Li, Z Su, Z Zhao, Q Cai, Y Li, J Zhao - Journal of Colloid and Interface …, 2022 - Elsevier
The development of highly-efficient electrocatalysts with bifunctional catalytic activity for
oxygen reduction reaction (ORR) and oxygen evolution reaction.(OER) still remains a great …
oxygen reduction reaction (ORR) and oxygen evolution reaction.(OER) still remains a great …