Single‐Atom Heterogeneous Catalysts: Human‐and AI‐Driven Platform for Augmented Designs, Analytics and Reality‐Enabled Manufacturing
L Cheng, Y Tang, K Ostrikov… - Angewandte Chemie …, 2024 - Wiley Online Library
Heterogeneous catalysts with targeted functionality can be designed with atomic precision,
but it is challenging to retain the structure and performance upon the scaled‐up …
but it is challenging to retain the structure and performance upon the scaled‐up …
Crystal graph convolution neural networks for fast and accurate prediction of adsorption ability of Nb 2 CT x towards Pb (ii) and Cd (ii) ions
Precisely measuring the adsorption capability of materials towards toxic heavy metal ions in
aqueous solution is essential for the synthesis of effective novel adsorbents. Nonetheless …
aqueous solution is essential for the synthesis of effective novel adsorbents. Nonetheless …
Single-atom nanozymes shines diagnostics of gastrointestinal diseases
S Hua, X Dong, Q Peng, K Zhang, X Zhang… - Journal of …, 2024 - Springer
Various clinical symptoms of digestive system, such as infectious, inflammatory, and
malignant disorders, have a profound impact on the quality of life and overall health of …
malignant disorders, have a profound impact on the quality of life and overall health of …
Asymmetric coordination engineering of active centers in MXene-based single atom catalysts for high-performance ECO2RR
S Cao, H Chen, X Wei, J Li, C Yang, Z Chen, S Wei… - Carbon, 2024 - Elsevier
Asymmetric coordination effect is an important concept in heterogeneous catalysis where
both catalytic activity and product selectivity are serious influenced. However, this effect has …
both catalytic activity and product selectivity are serious influenced. However, this effect has …
Noble metal-modified copper surfaces for alkaline condition hydrogen evolution reaction
M Liu, X Fan, X Cui, W Zheng, DJ Singh - Journal of Alloys and Compounds, 2024 - Elsevier
Cu-based materials would be attractive candidates for cost-effective alkaline hydrogen
evolution reaction (HER) electrocatalysts due to high abundance, excellent conductivity, and …
evolution reaction (HER) electrocatalysts due to high abundance, excellent conductivity, and …
Advancing CO2RR with O-Coordinated Single-Atom Nanozymes: A DFT and Machine Learning Exploration
H Sun, J Liu - ACS Catalysis, 2024 - ACS Publications
Electrochemical CO2 reduction reaction (CO2RR) offers a promising route toward zero-
carbon emissions. Recently emerged single-atom nanozymes (SANs), which combine the …
carbon emissions. Recently emerged single-atom nanozymes (SANs), which combine the …
Efficient carbon monoxide electroreduction on two-dimensional transition metal phosphides: A computational study
S Zhou, Z Wang, Z Zhao, Z Su, Q Cai, J Zhao - Applied Surface Science, 2023 - Elsevier
Carbon monoxide electroreudction (COER) has been emerging as a key component for
tandem carbon dioxide (CO 2) electrolysis, in which engineering COER electrocatalysts with …
tandem carbon dioxide (CO 2) electrolysis, in which engineering COER electrocatalysts with …
Boosting the Efficiency and Selectivity of Electrocatalytic Reduction of CO2 to C1 Products by Mn-Porphyrin via Axial Ligation
H Kaur, S Sharma, N Goel - The Journal of Physical Chemistry C, 2024 - ACS Publications
The urgency to address climate change hinges on developing efficient, selective, low-cost,
and durable catalysts for effective CO2 reduction, enabling the conversion of greenhouse …
and durable catalysts for effective CO2 reduction, enabling the conversion of greenhouse …
Electron distribution regulating of nonmetal doped monolayer g-GaN for enhanced electrocatalytic CO2 reduction
Y Zhao, L He - Applied Surface Science, 2024 - Elsevier
Exploring inexpensive electrocatalysts that can efficiently and selectively convert CO 2 into
hydrocarbon fuels is important to promote carbon neutrality and solve the energy crisis …
hydrocarbon fuels is important to promote carbon neutrality and solve the energy crisis …
Theoretical investigation of fluorine-decorated gallium nitride monolayers with vacancy and doping defects
DS Gomes, S Azevedo - Physica B: Condensed Matter, 2024 - Elsevier
In this manuscript, through the formalism of density functional theory (DFT), we have
investigated fluorine-decorated gallium nitride monolayers' structural stability and electronic …
investigated fluorine-decorated gallium nitride monolayers' structural stability and electronic …