Results 101 to 110 of about 218,969 (305)

Recent Advances in Enzyme‐based Biofuel Cells Using Glucose Fuel: Achieving High Power Output and Enhanced Operational Stability

Advanced Functional Materials, EarlyView.
Effective electron transfer and stable enzyme immobilization, both between enzymes and host electrodes as well as between adjacent enzymes, are crucial for optimizing the biofuel cell (BFC) performance. Recently, efforts have focused on integrating these strategies with porous host electrodes.
Junha Pak, Woojae Chang, Cheong Hoon Kwon, Jinhan Cho   +3 more
wiley   +1 more source

On the Thermal Stability of Graphone

, 2011
Molecular dynamics simulation is used to study thermally activated migration of hydrogen atoms in graphone, a magnetic semiconductor formed of a graphene monolayer with one side covered with hydrogen so that hydrogen atoms are adsorbed on each other ...
A. I. Podlivaev, A. I. Podlivaev, A. K. Geim, C. Xu, D. C. Elias, D. W. Boukhvalov, E. M. Pearson, J. O. Sofo, J. V. Andersen, J. Zhao, J. Zhou, K. S. Novoselov, L. A. Chernozatonskii, L. A. Openov, L. A. Openov, L. A. Openov, L. A. Openov, L. A. Openov, L. A. Openov, L. A. Openov, M. M. Maslov, M. M. Maslov, M. M. Maslov, M. M. Maslov, S. Lebegue   +24 more
core   +1 more source

Mediation of Oxidation and Spin States of Fe/P‐CoO2 Core–Shell Structures Catalysts for Oxygen Evolution Reaction

Advanced Functional Materials, EarlyView.
Fe‐cationic and P‐anionic coordination, as fabricated in Co0.75Fe0.25P/MWCNTs, effectively optimizes the adsorption of OER intermediates (OH*, O*), promoting direct O*─O* coupling and avoiding the formation of unstable OOH* intermediate. This process is accompanied by an asynchronous transfer of electrons and protons, resulting in the formation of a ...
Hong Lv, Yuanfeng Gao, Dong‐Sheng Li, Aimin Yu, Chenghua Sun, Cunman Zhang   +5 more
wiley   +1 more source

Low‐Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad

Angewandte Chemie, 2019
AbstractThe position, bonding and dynamics of hydrogen atoms in the catalytic centers of proteins are essential for catalysis. The role of short hydrogen bonds in catalysis has remained highly debated and led to establishment of several distinctive geometrical arrangements of hydrogen atoms vis‐à‐vis the heavier donor and acceptor counterparts, that is,
Tanja Mittag, Prashasti Kumar, Prashasti Kumar, M. Brett Waddell, Matthew J. Cuneo, Matthew J. Cuneo, Engin H. Serpersu, Engin H. Serpersu, Pratul K. Agarwal   +8 more
openaire   +5 more sources

Atomically Flat Dielectric Patterns for Bandgap Engineering and Lateral Junction Formation in MoSe2 Monolayers

Advanced Functional Materials, EarlyView.
This study presents a method to create atomically flat dielectric patterns of SiO2 and AlOx for MoSe2 monolayers, forming lateral heterojunctions with minimal strain. The dielectric pattern modulates excitonic properties, contact potential, and carrier dynamics, demonstrating a tunable approach for enhancing the optoelectronic properties of 2D ...
Philipp Moser, Lukas M. Wolz, Alex Henning, Andreas Thurn, Matthias Kuhl, Peirui Ji, Pedro Soubelet, Martin Schalk, Johanna Eichhorn, Ian D. Sharp, Andreas V. Stier, Jonathan J. Finley   +11 more
wiley   +1 more source

Covalent features in the hydrogen bond of a water dimer: molecular orbital analysis [PDF]

arXiv, 2015
The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs) crossing the O and H atoms of the hydrogen-bond in water dimer.
arxiv  

Recent Advances in Single‐Atom Catalyst for Solar Energy Conversion: A Comprehensive Review and Future Outlook

Advanced Functional Materials, EarlyView.
This review highlights the potential of single‐atom catalysts in three key photocatalytic reactions: the hydrogen evolution reaction (HER), nitrogen reduction reaction for ammonia synthesis, and carbon dioxide reduction reaction (CO2RR) for chemical fuels.
Saad Mehmood, Saddam Sk, B. Moses Abraham, Mohsen Ahmadipour, Ujjwal Pal, Joydeep Dutta   +5 more
wiley   +1 more source

A 3D Macroporous Carbon NiCu Single‐Atom Catalyst for High Current Density CO2 Electroreduction

Advanced Functional Materials, EarlyView.
A hard‐template 2‐step pyrolysis method is proposed for the fabrication of highly dispersed Ni and Cu atomic active sites on a 3D macroporous carbon matrix in which Ni serves as an active site and Cu as a regulator for selective CO2 electroreduction to CO.
Guilong Lu, Xin Wang, Janis Timoshenko, Beatriz Roldan Cuenya, Guixia Zhao, Xiubing Huang, Wolfgang Schuhmann, Martin Muhler   +7 more
wiley   +1 more source

Proton network flexibility enables robustness and large electric fields in the ketosteroid isomerase active site

, 2017
Hydrogen bond networks play vital roles in biological functions ranging from protein folding to enzyme catalysis. Here we combine electronic structure calculations and ab initio path integral molecular dynamics simulations, which incorporate both nuclear
Fried, Stephen D., Markland, Thomas E., Wang, Lu   +2 more
core   +2 more sources

Chiral Engineered Biomaterials: New Frontiers in Cellular Fate Regulation for Regenerative Medicine

Advanced Functional Materials, EarlyView.
Chiral engineered biomaterials can selectively influence cell behaviors in regenerative medicine. This review covers chiral engineered biomaterials in terms of their fabrication methods, cellular response mechanisms, and applications in directing stem cell differentiation and tissue function.
Yuwen Wang, Xin Zhang, Denghui Xie, Chunying Chen, Zhifeng Huang, Zhong Alan Li   +5 more
wiley   +1 more source