Results 91 to 100 of about 207,343 (281)

Hydrogen transport in superionic system Rb3H(SeO4)2: a revised cooperative migration mechanism

, 2011
We performed density functional studies of electronic properties and mechanisms of hydrogen transport in Rb3H(SeO4)2 crystal which represents technologically promising class M3H(XO4)2 of proton conductors (M=Rb,Cs, NH4; X=S,Se).
A. I. Baranov, A. I. Baranov, A. Pawlowski, A. Pietraszko, B. Hilczer, B. V. Merinov, B. V. Merinov, B. V. Merinov, H. Jonsson, I. V. Stasyuk, I. V. Stasyuk, J. Tollefson, M. Polomska, N. Pavlenko, P. Blaha   +14 more
core   +1 more source

Low Barrier Hydrogen Bonds: Getting Close, but Not Sharing...

ACS Central Science, 2015
Judith Klinman discusses the insights Oltrogge and Boxer provide regarding bond cleavage enzymes in their studies of pKa-modified GFPs.
openaire   +4 more sources

Electroactive Metal–Organic Frameworks for Electrocatalysis

Advanced Functional Materials, EarlyView.
Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska, Yutong Luo, Ruyan Zhao, Jianjun Zhang, Mingchao Wang, Xinliang Feng, Eike Brunner, Stefan Kaskel   +7 more
wiley   +1 more source

Effects of hole self-trapping by polarons on transport and negative bias illumination stress in amorphous-IGZO

, 2017
The effects of hole injection in amorphous-IGZO is analyzed by means of first-principles calculations. The injection of holes in the valence band tail states leads to their capture as a polaron, with high self-trapping energies (from 0.44 to 1.15 eV ...
A. de Jamblinne de Meux, G. Pourtois, J. Genoe, Jónsson H., P. Heremans   +4 more
core   +1 more source

Solid‐State ¹⁷O NMR Reveals Hydrogen‐Bonding Energetics: Not All Low‐Barrier Hydrogen Bonds Are Strong

Angewandte Chemie International Edition, 2017
AbstractWhile NMR and IR spectroscopic signatures and structural characteristics of low‐barrier hydrogen bond (LBHB) formation are well documented in the literature, direct measurement of the LBHB energy is difficult. Here, we show that solid‐state 17O NMR spectroscopy can provide unique information about the energy required to break a LBHB.
Lu, Jiasheng, Hung, Ivan, Brinkmann, Andreas, Gan, Zhehong, Kong, Xianqi, Wu, Gang   +5 more
openaire   +5 more sources

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source

Hydrogen Dynamics in Superprotonic CsHSO4

, 2007
We present a detailed study of proton dynamics in the hydrogen-bonded superprotonic conductor CsHSO4 from first-principles molecular dynamics simulations, isolating the subtle interplay between the dynamics of the O--H chemical bonds, the O...H hydrogen ...
A. I. Baranov, A. V. Belushkin, A. V. Belushkin, B. V. Merinov, Brandon C. Wood, C. D. Godsil, C. J. T. von Grotthuss, Nicola Marzari, S. Warshall, V. V. Sinitsyn, W. Münch   +10 more
core   +1 more source

Auto‐Generated Valence States in Electrocatalysts for Boosting Oxygen and Hydrogen Evolution Kinetics in Alkaline Water/Alkaline Seawater/Simulated Seawater/Natural Seawater

Advanced Functional Materials, EarlyView.
This review systematically highlights the latest achievements in mixed‐valence states relevant to hydrogen and oxygen evolution reactions, providing essential insights into future directions and methods for large‐scale practical implementation. This critical review is expected to provide an overview of recent advancements in diverse valence‐state metal
Jitendra N. Tiwari, Gokul Bhaskaran, Krishan Kumar, Yun Suk Huh, Young‐Kyu Han   +4 more
wiley   +1 more source

From Single Atoms to Nanoparticles: Pathways Toward Efficient and Durable Pt/TiO2 Photocatalysts

Advanced Functional Materials, EarlyView.
Platinum single atoms on TiO2 nanosheets evolve into clusters and nanoparticles under ethanol photoreforming and thermal treatments. By controlling deposition and post‐treatments, particle size and location on specific facets are modulated. The study reveals how stability pathways determine efficiency, guiding the design of more durable photocatalysts.
Juan José Delgado, Enqi Bu, Yaning Han, Carlos López‐Cartes, Mónica Calatayud, Huiyan Pan, Xiaowei Chen   +6 more
wiley   +1 more source

Release of a Proton and Formation of a Low-Barrier Hydrogen Bond between Tyrosine D and D2-His189 in Photosystem II. [PDF]

ACS Phys Chem Au, 2022
Mandal M, Saito K, Ishikita H.
europepmc   +1 more source