Results 121 to 130 of about 4,874,213 (359)

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

Energy spectrum, exchange interaction, and gate crosstalk in a system with a pair of double quantum dots: A molecular-orbital calculation [PDF]

, 2017
Xu-Chen Yang, Xin Wang
openalex   +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

Nuclear magnetic resonance and molecular orbital studies of the conformational preferences of the fluoromethyl group in some benzylfluoride derivatives [PDF]

, 1976
Ted Schaefer, J. Brian Rowbotham, William J. E. Parr, Kirk Marat, Alexander F. Janzen   +4 more
openalex   +1 more source

Dragon: A multi-GPU orbital-free density functional theory molecular dynamics simulation package for modeling of warm dense matter

, 2023
Deyan Mihaylov, S. X. Hu, Valentin V. Karasiev   +2 more
openalex   +2 more sources

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

Single crystal analysis and DFT studies of the novel hybrid material-based on 2-hydroxypyridine and selenic acid

Results in Chemistry
A novel hybrid material based on 2-hydroxypyridine and selenic acid, abbreviated as [(2-OH-pyH+)]2SeO4, has been synthesized using a slow evaporation method.
R. Bhavani, N. Kanagathara, M.K. Marchewka, J. Janczak, K. Senthilkumar, Mohammad Azam   +5 more
doaj   +1 more source

Development and character of gap states on alkali doping of molecular films

New Journal of Physics, 2014
Here we study the alkali metal induced effects on an ordered and aligned sexiphenyl monolayer on Cu(110) with angle-resolved UV spectroscopy (ARUPS). The caesium (Cs) induced gap states could clearly be identified by orbital tomography, a method based on
E M Reinisch, T Ules, P Puschnig, S Berkebile, M Ostler, T Seyller, M G Ramsey, G Koller   +7 more
doaj   +1 more source

Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations

, 2021
Kazuki Akisawa, Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Kaori Fukuzawa, Yuto Komeiji, Shigenori Tanaka   +6 more
openalex   +2 more sources

Prospects of Electric Field Control in Perpendicular Magnetic Tunnel Junctions and Emerging 2D Spintronics for Ultralow Energy Memory and Logic Devices

Advanced Functional Materials, EarlyView.
Electric control of magnetic tunnel junctions offers a path to drastically reduce the energy requirements of the device. Electric field control of magnetization can be realized in a multitude of ways. These mechanisms can be integrated into existing spintronic devices to further reduce the operational energy.
Will Echtenkamp, Brahmdutta Dixit, Yifei Yang, Deyuan Lyu, Thomas Peterson, Qi Jia, Yu‐Chia Chen, Jian‐Ping Wang   +7 more
wiley   +1 more source