Results 101 to 110 of about 196,444 (313)

Understanding β-Hydride Eliminations from Heteroatom Functional Groups [PDF]

, 2011
Using density functional theory, we investigated detailed aspects of the quintessential organometallic process, β-hydride elimination (BHE). In general, we find that most BHE processes from alkyl functional group β-atoms are facile, while BHE processes ...
Goddard, William A. III, Theofanis, Patrick L.   +1 more
core   +1 more source

Synchrotron Radiation for Quantum Technology

Advanced Functional Materials, EarlyView.
Materials and interfaces underpin quantum technologies, with synchrotron and FEL methods key to understanding and optimizing them. Advances span superconducting and semiconducting qubits, 2D materials, and topological systems, where strain, defects, and interfaces govern performance.
Oliver Rader, Sakura Pascarelli, Klaus Attenkofer, Anna A. Makarova, Karsten Holldack, Kai Rossnagel, Kristiaan Temst, George Kourousias, Stefano Carretta, Caterina Biscari, Helmut Dosch   +10 more
wiley   +1 more source

Density-functional study of hydrogen chemisorption on vicinal Si(001) surfaces

, 1998
Relaxed atomic geometries and chemisorption energies have been calculated for the dissociative adsorption of molecular hydrogen on vicinal Si(001) surfaces.
A. I. Shkrebtii, A. Oshiyama, A. Ramstad, A. Vittadini, A. Vittadini, B. Hammer, B. S. Swartzentruber, C. C. Umbach, C. J. Wu, C. J. Wu, C. J. Wu, D. J. Chadi, D. J. Chadi, D. R. Hamann, E. L. Bullock, E. Pehlke, E. Pehlke, E. Pehlke, F. Liu, F. Stucki, G. P. Kochanski, H. J. Monkhorst, H. Over, J. Da̧browski, J. E. Griffith, J. E. Northrup, J. E. Northrup, J. E. Vasek, J. H. G. Owen, J. H. G. Owen, J. H. G. Owen, J. J. de Miguel, J. P. Perdew, K. W. Kolasinski, M. B. Raschke, M. Bockstedte, M. Fuchs, M. Horn-von Hoegen, M. Lagally, M. R. Radeke, M. R. Radeke, N. Moll, O. L. Alerhand, O. L. Alerhand, P. Bogusłaswki, P. Bratu, P. Bratu, P. E. Wierenga, P. Kratzer, P. Kratzer, P. Kratzer, P. Krüger, P. Nachtigall, P. Nachtigall, P. Nachtigall, R. A. Wolkow, R. E. Schlier, R. J. Hamers, R. M. Tromp, S. Clarke, S. Pai, T. W. Poon, U. Höfer, W. Brenig, X. Tong, Y. W. Mo, Z. Jing, Z. Jing   +67 more
core   +1 more source

Engineering Strategies for 2D Layered Tin Halide Perovskite Field‐Effect Transistors

Advanced Functional Materials, EarlyView.
2D halide perovskites are promising candidates for field‐effect transistor (FET) applications due to their high stability and suppressed ion migration in the presence of bulky organic spacers. This review systematically summarizes the optimization engineering strategies of 2D perovskite FETs and future challenges, which provide guidance for developing ...
Shuanglong Wang, Zhitian Ling, Paul W. M. Blom, Tomasz Marszalek, Wojciech Pisula   +4 more
wiley   +1 more source

Cu‐Based MOF/TiO2 Composite Nanomaterials for Photocatalytic Hydrogen Generation and the Role of Copper

Advanced Functional Materials, EarlyView.
HKUST‐1/TiO2 composite materials show a very high photocatalytic hydrogen evolution rate which increases as a function of the irradiation time until reaching a plateau and even surpasses the performance of the 1%Pt/TiO2 material after three photocatalytic cycles.
Alisha Khan, Marie Le Pivert, Alireza Ranjbari, Diana Dragoe, Daniel Bahena‐Uribe, Christophe Colbeau‐Justin, Christian Herrero, Dorota Rutkowska‐Zbik, Johnny Deschamps, Hynd Remita   +9 more
wiley   +1 more source

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

The Low Barrier Hydrogen Bond in Enzymatic Catalysis [PDF]

Journal of Biological Chemistry, 1998
Perry A. Frey, W. Wallace Cleland, John A. Gerlt   +2 more
openaire   +3 more sources

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

A pH-sensitive film based on chitosan/gelatin and anthocyanin from Zingiber striolatum Diels for monitoring fish freshness

Food Chemistry: X
As a new type of packaging method, the anthocyanin-based pH-sensitive indicator film has gained much attention owing to low cost, small size, and visually informative property. In this study, an intelligent film based on chitosan/gelatin (CG) matrix with
Yuyue Qin, Yurou Wang, Zhenya Tang, Kejun Chen, Zhengxuan Wang, Guiguang Cheng, Hai Chi, Thanapop Soteyome   +7 more
doaj   +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