Tailoring d-band center of high-valent metal-oxo species for pollutant removal via complete polymerization [PDF]
Nature CommunicationsPolymerization-driven removal of pollutants in advanced oxidation processes (AOPs) offers a sustainable way for the simultaneous achievement of contamination abatement and resource recovery, supporting a low-carbon water purification approach.
Hong-Zhi Liu +7 more
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Electron Transfer‐Tailored D‐Band Center to Boost Nanozyme Catalysis for Interpretable Machine Learning‐Empowered Intelligent Biosensing [PDF]
Advanced ScienceThe escalating global burden of infectious diseases demands biosensing technologies that transcend the complexity‐sensitivity‐accuracy trade‐off in real‐world applications.
Yuechun Li +9 more
doaj +3 more sources
Subnanometric Ru clusters with upshifted D band center improve performance for alkaline hydrogen evolution reaction [PDF]
Nature Communications, 2022 Metal nanocluster properties undergo drastic activity alterations with slight size variations, although in-depth examinations of such changes are challenging to perform.
Qi Hu +9 more
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Surface Engineering‐Induced d‐Band Center Down‐Regulation in High‐Entropy Alloy Nanowires for Enhanced Nanozyme Catalysis [PDF]
Advanced ScienceHigh‐entropy alloys (HEAs) have garnered extensive attention owing to their broad compositional tunability and high catalytic activity. However, precisely modulating the enzyme‐like activity of HEAs and enhancing their biocompatibility for biological ...
Kunyang Feng +10 more
doaj +3 more sources
Unlocking Modulation Rule of Heterointerface Engineering Induced D‐Band Center on Polysulfides Conversion in Lithium–Sulfur Batteries [PDF]
Advanced ScienceMOF‐derived heterostructures have been widely utilized as S hosts to address the three issues faced by the sulfur (S) cathode in lithium–sulfur batteries. Precisely pinpointing the active center in the heterostructure and unlocking the modulation rule of
Wenbin Li +7 more
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Tuning the d-Band Center of Nickel Bimetallic Compounds for Glycerol Chemisorption: A Density Functional Study. [PDF]
MoleculesThe modification of catalytic activity through the use of metallic promoters is a key strategy for optimizing performance, as electronic factors play a crucial role in regulating catalytic behavior.
Ramos-Castillo CM +4 more
europepmc +5 more sources
Cation Substitution in High‐Entropy Layered Double Hydroxide Driving D‐Band Center Tuning for Oxygen Evolution Reaction [PDF]
Advanced ScienceThe development of electrocatalysts with optimized intermediate adsorption and low energy barriers is crucial for the oxygen evolution reaction (OER).
Pinnan Li +4 more
doaj +2 more sources
The application and research progress of d-band center theory in the field of water electrolysis
International Journal of Hydrogen EnergyXinxia Ma
exaly +3 more sources
Going Beyond the d‐Band Center to Describe CO2 Activation on Single‐Atom Alloys [PDF]
Advanced Energy & Sustainability Research, 2022 The computational screening of single‐atom alloys (SAAs) is challenging owing to their complicated electronic structure compared with traditional metal or alloy catalysts and the consequent lack of an accurate and low‐cost activity descriptor to replace ...
Zhongti Sun, Zhilong Song, Wan-Jian Yin
doaj +2 more sources
Trimetallic Sulfide Hollow Superstructures with Engineered d‐Band Center for Oxygen Reduction to Hydrogen Peroxide in Alkaline Solution [PDF]
Advanced Science, 2022 High‐performance transition metal chalcogenides (TMCs) as electrocatalysts for two‐electron oxygen reduction reaction (2e‐ORR) in alkaline medium are promising for hydrogen peroxide (H2O2) production, but their synthesis remains challenging. In this work,
Chaoqi Zhang +9 more
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