Results 91 to 100 of about 202,648 (320)

Light‐Controlled Reversible Coassembly of Hybrid Functional Nanostructures

Advanced Functional Materials, EarlyView.
Light‐responsive hybrid nanostructures are formed by coassembling azobenzene‐ and PAH‐functionalized nanoparticles through reversible an tunable π interactions. The system enables tunable coupling between distinct components such as gold and magnetite or carbon nanotubes, producing switchable optical and magnetic properties under light and magnetic ...
Michal Sawczyk, Yanxiao Han, Soumyo Sen, Bartosz Smereczyński, Petr Král, Michał M. Wójcik   +5 more
wiley   +1 more source

Biomimetic and Compressible Wood Phase Change Gel With Hierarchically Aligned Lamellar Structure for Controlled Thermal Management

Carbon Energy
The recovery and utilization of ubiquitous low‐grade heat are crucial for mitigating the fossil energy crisis. However, uncontrolled spontaneous heat dissipation limits its practical application.
Jiazuo Zhou, Yifan Liu, Xinbei Jia, Yudong Li, Xiaohan Sun, Xinyao Ji, Yuan Yu, Taikun Yao, Zhuoer Li, Jian Li, Haiyue Yang, Yao Xiao, Wentao Gan, Chengyu Wang   +13 more
doaj   +1 more source

Graphene Multi-Protonation: a Cooperative Mechanism for Proton Permeation

, 2018
The interaction between protons and graphene is attracting a large interest due to recent experiments showing that these charged species permeate through the 2D material following a low barrier (~ 0.8 eV) activated process.
Bartolomei, Massimiliano, Campos-Martınez, José, Hernández, Marta I., Lamoneda, Ramón Hernández   +3 more
core   +1 more source

The para-substituent effect and pH-dependence of the organometallic Baeyer–Villiger oxidation of rhenium–carbon bonds [PDF]

, 2012
We studied the Baeyer–Villiger (BV) type oxidation of phenylrhenium trioxide (PTO) by H2O2 in the aqueous phase using Quantum Mechanics (density functional theory with the M06 functional) focusing on how the solution pH and the para-substituent affect ...
Bischof, Steven M., Cheng, Mu-Jeng, Goddard, William A., III, Gunnoe, T. Brent, Nielsen, Robert J., Periana, Roy A.   +5 more
core   +1 more source

Enhancing Direct Solar Water Splitting via ALD of Multifunctional TiO2/Pt Nanoparticle Coatings With Engineered Interfaces to GaAs/GaInP Tandem Cells

Advanced Functional Materials, EarlyView.
Multifunctional atomic layer deposited coatings and interface treatments enhance direct solar water splitting on GaAs/GaInP tandem cells. Optimized TiO2/Pt nanoparticle bilayers ensure durability and catalytic efficiency with minimal optical losses, while H2 plasma pretreatments maximize photovoltage and interfacial charge extraction.
Tim F. Rieth, Verena Streibel, Oliver Bienek, Sergej Levashov, Johannes Dittloff, Kristof Möller, Johanna Eichhorn, Matthias M. May, Ian D. Sharp   +8 more
wiley   +1 more source

Cobalt-Porphyrin Catalyzed Electrochemical Reduction of Carbon Dioxide in Water II: Mechanism from First Principles

, 2010
We apply first principles computational techniques to analyze the two-electron, multi-step, electrochemical reduction of CO2 to CO in water using cobalt porphyrin as a catalyst.
Leung, Kevin, Medforth, Craig J., Nielsen, Ida M. B., Sai, Na, Shelnutt, J. A.   +4 more
core   +1 more source

Non Thermal‐Driven Photocatalytic Ammonia Decomposition at Near‐Room Temperature on a Plasmonic Nanocone Array

Advanced Functional Materials, EarlyView.
Plasmonic photocatalytic ammonia decomposition occurs at near‐room temperature on a plasmonic Au nanocone array under visible light illumination. The nanostructure efficiently harnesses plasmonic modes, leading to increased reaction rates upon plasmon decay.
Thanh‐Lam Bui, S. M. Hossein Hejazi, Jan Navrátil, Hana Kmentová, Petr Bábor, Olivier Henrotte, Luca Mascaretti, Matteo Bisetto, Stephen K. Sanders, Andrea Schirato, Michal Otyepka, Piotr Błoński, Tiziano Montini, Radek Zboril, Paolo Fornasiero, Alessandro Alabastri, Alberto Naldoni, Stepan Kment   +17 more
wiley   +1 more source

Parametrization of a reactive force field for aluminum hydride [PDF]

, 2009
A reactive force field, REAXFF, for aluminum hydride has been developed based on density functional theory (DFT) derived data. REAXFF_(AlH_3) is used to study the dynamics governing hydrogen desorption in AlH_3.
Goddard, William A., III, Kramer, Gert Jan, Ojwang, J. G. O., van Duin, Adri C. T., van Santen, Rutger A.   +4 more
core  

Laboratory photo-chemistry of covalently bonded fluorene clusters: observation of an interesting PAH bowl-forming mechanism

, 2019
The fullerene C$_{60}$, one of the largest molecules identified in the interstellar medium (ISM), has been proposed to form top-down through the photo-chemical processing of large (more than 60 C-atoms) polycyclic aromatic hydrocarbon (PAH) molecules. In
Chen, Tao, Linnartz, Harold, Si, Yubing, Tielens, Alexander G. G. M., Zhang, Weiwei, Zhen, Junfeng   +5 more
core   +1 more source

2D Multifunctional Spin‐Orbit Coupled Dirac Nodal Line Materials

Advanced Functional Materials, EarlyView.
A total of 473 nonmagnetic and antiferromagnetic 2D spin‐orbit coupled Dirac nodal line materials are screened, spanning 5 layer groups and 12 magnetic space groups. Furthermore, it integrates their topological properties with electride, multiferroic, and magnetic characteristics, revealing unique systems with expanded functionalities and promising ...
Weizhen Meng, Ying Liu, Jialin Gong, Yalong Jiao, Xiaoming Zhang, Wenxian Li, Zhenxiang Cheng, Tie Yang   +7 more
wiley   +1 more source