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Interfacial engineering-induced electronic state modulation in Ru/MoS heterostructures for efficient hydrogen evolution reaction.
Chem Commun (Camb)
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Key Laboratory of Functional Membrane Material and Membrane Technology, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, 189 Songling Road, Qingdao, 266101, China.
In traditional binary heterojunction catalysts, mismatched energy band structures lead to higher electron transfer barriers. By reducing the work function difference a ternary Ru-RuS/MoS heterostructure, we developed a HER catalyst with remarkable activity (17 mV@10 mA cm) and excellent stability (300 h@500 mA cm).
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Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University Suzhou Jiangsu 215123 China
Understanding the oxygen reduction reaction (ORR) mechanism and accurately characterizing the reaction interface are essential for improving fuel cell efficiency. We developed an active learning framework combining machine learning force fields and enhanced sampling to explore the dynamics and kinetics of the ORR on Fe-N/C using a fully explicit solvent model. Different possible reaction paths have been explored and the O adsorption process is confirmed as the rate-determining step of the ORR at the Fe-N/C-water interface, which needs to overcome a free energy barrier of 0.
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Chemistry and Physics of Materials Unit, School of Advanced Materials (SAMat), Jawaharlal Nehru Centre for Advanced Scientific Research Jakkur Bangalore 560064 India https://www.jncasr.ac.in/faculty/tmaji.
Coordination-driven metallo-supramolecular polymers hold significant potential as highly efficient catalysts for photocatalytic CO reduction, owing to the covalent integration of the light harvesting unit, catalytic center and intrinsic hierarchical nanostructures. In this study, we present the synthesis, characterization, and gelation behaviour of a novel low molecular weight gelator (LMWG) integrating a benzo[1,2-:4,5-']dithiophene core with terpyridine (TPY) units alkyl amide chains (TPY-BDT). The two TPY ends of the TPY-BDT unit efficiently chelate with metal ions, enabling the formation of a metallo-supramolecular polymer that brings together the catalytic center and a photosensitizer in close proximity, maximizing catalytic efficiency for CO reduction.
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Department of Mathematics and Statistics, Hazara University, Mansehra, Pakistan.
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View Article and Find Full Text PDFSN2-Reaction-Driven Bonding-Heterointerface Strengthens Buried Adhesion and Orientation for Advanced Perovskite Solar Cells.
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Shandong University of Science and Technology, Institute of Carbon Neutrality, College of Chemical and Biological Engineering, No 579 Qianwangang Road, Huangdao District, 266590, Qingdao, CHINA.
Traditionally weak buried interaction without customized chemical bonding always goes against the formation of high-quality perovskite film that highly determines the efficiency and stability of perovskite solar cells. To address this issue, herein, we propose a bimolecular nucleophilic substitution reaction (SN2) driving strategy to idealize the robust buried interface by simultaneously decorating underlying substrate and functionalizing [PbX6]4- octahedral framework with iodoacetamide and thiol molecules, respectively. Theoretical and experimental results demonstrate that a strong SN2 reaction between exposed halogen and thiol group in two molecules occurs, which not only benefits the reinforcement of buried adhesion, but also triggers target-point-oriented crystallization, synergistically upgrading the upper perovskite film quality and accelerating interfacial charge extraction-transfer behavior.
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