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Bridging the complexity gap in computational heterogeneous catalysis with machine learning
Heterogeneous catalysis underpins a wide variety of industrial processes including energy
conversion, chemical manufacturing and environmental remediation. Significant advances …
conversion, chemical manufacturing and environmental remediation. Significant advances …
Structured catalysts and catalytic processes: transport and reaction perspectives
The structure of catalysts determines the performance of catalytic processes. Intrinsically, the
electronic and geometric structures influence the interaction between active species and the …
electronic and geometric structures influence the interaction between active species and the …
Operando Electron Microscopy of Catalysts: The Missing Cornerstone in Heterogeneous Catalysis Research?
Heterogeneous catalysis in thermal gas-phase and electrochemical liquid-phase chemical
conversion plays an important role in our modern energy landscape. However, many of the …
conversion plays an important role in our modern energy landscape. However, many of the …
Multi-site catalysis of high-entropy hydroxides for sustainable electrooxidation of glucose to glucaric acid
The glucose electrooxidation reaction (GOR) is an environmentally benign way to generate
high value-add glucaric acid. However, a lack of suitable catalysts for the GOR limits …
high value-add glucaric acid. However, a lack of suitable catalysts for the GOR limits …
In-situ/operando Raman techniques for in-depth understanding on electrocatalysis
Recently, the electrocatalysis has attracted increasing attention for the sustainable
development of society, which has been applied for energy harvesting/storage and pollution …
development of society, which has been applied for energy harvesting/storage and pollution …
Dynamic evolution of the active center driven by hemilabile coordination in Cu/CeO2 single-atom catalyst
Z Chen, Z Liu, X Xu - Nature Communications, 2023 - nature.com
Hemilability is an important concept in homogeneous catalysis where both the reactant
activation and the product formation can occur simultaneously through a reversible opening …
activation and the product formation can occur simultaneously through a reversible opening …
Interfacial component coupling effects towards precise heterostructure design for efficient electrocatalytic water splitting
Electrocatalytic water splitting is an appealing method for generating renewable hydrogen.
In acidic media, noble metals are commonly used as electrocatalysts, whereas in alkaline …
In acidic media, noble metals are commonly used as electrocatalysts, whereas in alkaline …
Quantitatively determining surface–adsorbate properties from vibrational spectroscopy with interpretable machine learning
Learning microscopic properties of a material from its macroscopic measurables is a grand
and challenging goal in physical science. Conventional wisdom is to first identify material …
and challenging goal in physical science. Conventional wisdom is to first identify material …
Metal‐Organic Framework (MOF)‐Based Clean Energy Conversion: Recent Advances in Unlocking its Underlying Mechanisms
Carbon neutrality is an important goal for humanity. As an eco‐friendly technology,
electrocatalytic clean energy conversion technology has emerged in the 21st century …
electrocatalytic clean energy conversion technology has emerged in the 21st century …
Insight into the Dynamic Evolution of Supported Metal Catalysts by In Situ/Operando Techniques and Theoretical Simulations
Y Nian, X Huang, M Liu, J Zhang, Y Han - ACS Catalysis, 2023 - ACS Publications
With the rapid development of in situ/operando characterization technologies and theoretical
simulation methods, researchers found that the catalyst can be changed dynamically along …
simulation methods, researchers found that the catalyst can be changed dynamically along …