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Spatial correlation of desorption events accelerates water exchange dynamics at Pt/water interfaces.
Chem Sci
December 2024
State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China
The altered solvation structures and dynamical properties of water molecules at the metal/water interfaces will affect the elementary step of an electrochemical process. Simulating the interfacial structure and dynamics with a realistic representation will provide us with a solid foundation to make a connection with experimental studies. To surmount the accuracy-efficiency tradeoff and provide dynamical insights, we use state-of-the-art machine learning molecular dynamics (MLMD) to study the water exchange dynamics, which are fundamental to adsorption/desorption and electrochemical reaction steps.
View Article and Find Full Text PDFVacancy-Activated B-Doping for Efficient 2e- Oxygen Reduction through Suppressing H2O2 Decomposition at High Overpotential.
Angew Chem Int Ed Engl
January 2025
China University of Petroleum East China, State Key Laboratory of Heavy Oil Processing, 66 The Yangtze River West Road, 266580, Qingdao, CHINA.
The production of hydrogen peroxide (H2O2) through two-electron oxygen reduction reaction (2e- ORR) has emerged as a more environmentally friendly alternative to the traditional anthraquinone method. Although oxidized carbon catalysts have intensive developed due to their high selectivity and activity, the yield and conversion rate of H2O2 under high overpotential still limited. The produced H2O2 was rapidly consumed by the increased intensity of H2O2 reduction, which could ascribe to decomposition of peroxide radicals under high voltage in the carbon catalyst.
View Article and Find Full Text PDFMetal-organic Framework with Polar Pore Surface Designed for Purification of Both Natural Gas and Ethylene.
Chemistry
January 2025
Fujian Normal University, School of Chemistry and Materials, No.8 Shangsan Road, ., Fuzhou City, CHINA.
The advancement of high-value CH4 purification technology within the natural gas industry is paramount for industrial processes. Herein, we constructed ZJNU-402, a new porous material characterized by permanent porosity, as an effective adsorbent for separating C3H8/CH4 and C2H6/CH4 mixtures. The findings reveal an outstanding C3H8 adsorption capacity of 68 cm3 g-1 and a moderate C2H6 adsorption rate of 42 cm3 g-1, with a notably lower CH4 adsorption rate of 11 cm3 g-1.
View Article and Find Full Text PDFAtomistic adsorption of PETase onto large-scale PET 3D-models that mimic reality.
Phys Chem Chem Phys
January 2025
LAQV@REQUIMTE, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre s/n, 4169-007, Porto, Portugal.
Polyethylene terephthalate (PET) has been widely used in plastic products, leading to massive PET waste accumulation in ecosystems worldwide. Efforts to find greener processes for dealing with post-consumer PET waste led to the discovery of PET-degrading enzymes such as PETase (PETase). studies have provided valuable contributions to this field, shedding light on the catalytic mechanisms and substrate interactions in many PET hydrolase enzymes.
View Article and Find Full Text PDFLong-Range Metal-Sorbent Interactions Determine CO Capture and Conversion in Dual-Function Materials.
ACS Nano
January 2025
Department of Chemical Engineering and SUNCAT Center for Interface Science and Catalysis, Stanford University, Stanford, California 94305, United States.
Carbon capture and utilization involve multiple energy- and cost-intensive steps. Dual-function materials (DFMs) can reduce these demands by coupling CO adsorption and conversion into a single material with two functionalities: a sorbent phase and a metal for catalytic CO conversion. The role of metal catalysts in the conversion process seems salient from previous work, but the underlying mechanisms remain elusive and deserve deeper investigation to achieve maximum utilization of the two phases.
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