Results 211 to 220 of about 116,652 (327)

Atomic Size Misfit for Electrocatalytic Small Molecule Activation

Advanced Functional Materials, EarlyView.
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source

Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics. [PDF]

J Phys Chem A
Cigrang LLE, Curchod BFE, Ingle RA, Kelly A, Mannouch JR, Accomasso D, Alijah A, Barbatti M, Chebbi W, Došlić N, Eklund EC, Fernandez-Alberti S, Freibert A, González L, Granucci G, Hernández FJ, Hernández-Rodríguez J, Jain A, Janoš J, Kassal I, Kirrander A, Lan Z, Larsson HR, Lauvergnat D, Le Dé B, Lee Y, Maitra NT, Min SK, Peláez D, Picconi D, Qiu Z, Raucci U, Robertson P, Sangiogo Gil E, Sapunar M, Schürger P, Sinnott P, Tretiak S, Tikku A, Vindel-Zandbergen P, Worth GA, Agostini F, Gómez S, Ibele LM, Prlj A.   +44 more
europepmc   +1 more source

Copper‐based Materials for Photo and Electrocatalytic Process: Advancing Renewable Energy and Environmental Applications

Advanced Functional Materials, EarlyView.
Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida, Yanjie Wang, Thais A. Rodrigues, Paulo H. H. Nunes, Vagner R. de Mendonça, Paulo H. E. Falsetti, Leticia V. Savazi, Tao He, Alexandra V. Bardakova, Aida V. Rudakova, Jie Tian, Alexei V. Emeline, Osmando F. Lopes, Antonio Otavio T. Patrocínio, Jia Hong Pan, Caue Ribeiro, Detlef W. Bahnemann   +16 more
wiley   +1 more source

Design and characterization of all 2D fragile topological bands. [PDF]

PNAS Nexus
Bird S, Devescovi C, Engeler P, Valenti A, Gökmen DE, Worreby R, Peri V, Huber SD.   +7 more
europepmc   +1 more source

MnI‐Functionalized Covalent Organic Framework as Efficient Electrocatalyst for CO2 Reduction in a Catholyte‐Free Zero‐Gap Electrolyzer

Advanced Functional Materials, EarlyView.
This work demonstrates the successful integration of a phenanthroline‐based 2D COF with MnI catalytic sites into a catholyte‐free membrane‐electrode‐assembly cell for CO2 electroreduction. The crystalline COF actively suppresses Mn⁰–Mn⁰ dimerization, achieving a turnover frequency of 617 h⁻¹ at 2.8 V (full‐cell potential), and enabling stable operation.
Laura Spies, Marcos Eduardo G. Carmo, Gonçalves J. Marrenjo, Stephan Reuther, Patrick Ganswindt, Antonio Otavio T. Patrocinio, Thomas Bein, Osmando F. Lopes, Jenny Schneider   +8 more
wiley   +1 more source

Broad-Spectrum Diffusion Coefficient Measurements via Surface Plasmon Resonance: From Thermodynamics to Protein Conformational Disorders. [PDF]

Chemphyschem
Basile GS, Calcagno D, Tuccitto N, Sbardella D, Grasso G.   +4 more
europepmc   +1 more source

Rational Fine‐Tuning of MOF Pore Metrics: Enhanced SO2 Capture and Sensing with Optimal Multi‐Site Interactions

Advanced Functional Materials, EarlyView.
A pore tuning strategy to amplify the multi‐site MOF‐SO2 interactions is proposed to achieve an enhanced trace SO2 capture and chemiresistive sensing in highly stable isostructural DMOFs by annelating benzene rings. This work provides a facile strategy to achieve tailor‐made stable MOF materials for specific multifunctional applications.
Shanghua Xing, Abdulrahman Mohabbat, István Boldog, Jens Möllmer, Marcus Lange, Yulyan Haiduk, Tobias Heinen, Vladimir Pankov, Oliver Weingart, Christoph Janiak   +9 more
wiley   +1 more source

X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency. [PDF]

J Phys Chem A
Repisky M, Komorovsky S, Konecny L, Kadek M, Moitra T, Joosten M, Misenkova D, Vikhamar-Sandberg R, Kaupp M, Ruud K, Malkina OL, Malkin VG.   +11 more
europepmc   +1 more source

Single‐Step Conversion of Metal Impurities in CNTs to Electroactive Metallic Nitride Nanoclusters for Electrochemical CO2 Reduction

Advanced Functional Materials, EarlyView.
A single‐step, low‐temperature co‐pyrolysis process removes encapsulated seed metal NPs (10–50 nm) from CNTs, redistributing them as surface‐anchored metal and metal–nitride NCs (1–1.5 nm). Herein, Ni3N NCs achieve an ultra‐low onset overpotential for CO2 reduction to CO with >98% Faradaic efficiency across 100–700 mA cm−2.
Ahmed Badreldin, John Pellessier, Francisco Alejandro Ospina Acevedo, Siyuan Fang, Carter Racine, Jin Feng, Alvin Chang, Yulu Ge, Yang Gang, Shengyao Wang, Xiaokun Yang, Sergei Ivanov, Zhenxing Feng, Yun Hang Hu, Perla B. Balbuena, Ying Li   +15 more
wiley   +1 more source