Results 241 to 250 of about 97,579 (314)

Tensorial Properties via the Neuroevolution Potential Framework: Fast Simulation of Infrared and Raman Spectra. [PDF]

J Chem Theory Comput
Xu N, Rosander P, Schäfer C, Lindgren E, Österbacka N, Fang M, Chen W, He Y, Fan Z, Erhart P.   +9 more
europepmc   +1 more source

Raman Spectra of Methoxychlorosilanes

Nippon kagaku zassi, 1956
Hiromu Murata, Kiyoyasu Kawai, Masami Yokoo   +2 more
openaire   +2 more sources

The study of the Raman spectra of SiC layers in TRISO particles

, 2012
Chao Fang, L. Malin
openalex   +1 more source

Facet‐Engineered S‐Scheme Heterostructure With Enhanced Active Sites for Efficient Photocatalytic Degradation of Organic Contaminants

Advanced Functional Materials, EarlyView.
The facet‐engineered ZnO/Zn3In2S6 heterostructure, dominated by {001} plane coupling, exposes abundant unsaturated Zn sites with elongated Zn─O bonds, directing photoexcited charge carriers along an S‐scheme pathway and suppressing recombination. Enhanced interfacial Zn adsorption toward bisphenol A and methylene blue further synergistically promotes ...
Yang Yang, Zisheng Du, Hongyuan Yang, Debabrata Bagchi, Ruotao Yang, Prashanth W. Menezes, Sugang Meng   +6 more
wiley   +1 more source

Raman spectra simulation of antiplatelet drug-platelet interaction using DFT. [PDF]

Sci Rep
Kundalevich A, Kapitunova A, Berezin K, Zyubin A, Moiseeva E, Rafalskiy V, Samusev I.   +6 more
europepmc   +1 more source

Localized High‐Concentration Electrolyte with Water‐Miscible Diluent Enables Stable Zinc Deposition and Long‐Life Aqueous Zinc Metal Batteries

Advanced Functional Materials, EarlyView.
A diisopropyl ether (DIPE)‐based, localized, high‐concentration electrolyte is developed to stabilize both electrodes in aqueous zinc batteries. By reducing water activity and promoting anion‐rich zinc‐ion solvation, it builds robust interphases at both the cathode and anode, ensuring uniform deposition, suppressed corrosion, and highly reversible ...
Yuxuan Wu, Ziwei Zhao, Yue Fei, Hao Zhang, Ge Li   +4 more
wiley   +1 more source

Mechanistic Insights into a Synergistic FeOx/Fe‐N4 System for Practical Nitrate Abatement with Value‐Added Ammonia Recovery

Advanced Functional Materials, EarlyView.
This work provides a novel interpretation of the nitrate reduction mechanism on iron oxides (FeOx) by employing constant‐potential density functional calculations and reports the design and synthesis of a robust and high‐performance Fe3O4/Fe‐N4‐C catalyst with remarkable Faradaic efficiency, current density, and stability under practical reaction ...
Qiang Zhou, Hongzhi Liu, Shenglin Liu, Yuwei Liu, Mamiko Nakabayashi, Yunlong Xie, Naoya Shibata, Feng Gong, Jean‐Jacques Delaunay   +8 more
wiley   +1 more source

Infrared spectrum of solid D2 and Raman spectra of solid H2, D2 and HD /

, 1986
Shankar Baliga
openalex   +1 more source

Deterministic hBN Bubbles as a Versatile Platform for Studies on Single‐Photon Emitters

Advanced Functional Materials, EarlyView.
Single‐photon emitters (SPEs) in hBN are promising for quantum technologies; however, in exfoliated samples their activation is required, limiting reproducibility of previous studies. This work introduces a large‐area MOVPE‐grown hBN platform that hosts SPEs without prior activation.
Piotr Tatarczak, Tomasz Fąs, Jan Pawłowski, Aleksandra Krystyna Dąbrowska, Jan Suffczyński, Mateusz Tokarczyk, Piotr Wróbel, Andrzej Wysmołek, Johannes Binder   +8 more
wiley   +1 more source

Dual‐Interface‐Dominant Cathode Architectures Enabling Fast Sulfur Redox and Stable Interfaces in All‐Solid‐State Li‐S Batteries

Advanced Functional Materials, EarlyView.
An optimized carbon host nanostructure enables a dual‐interface‐dominant architecture in sulfur cathodes of solid‐state Li‐S batteries by selectively forming sulfur|carbon and sulfur|solid electrolyte interfaces. This tailored interfacial configuration accelerates sulfur redox kinetics by establishing enriched Li+/e– transport networks, while ...
Zhao Yang, Yuxiao Zhang, Yihong Liu, Geng Xie, Yu Dou, Jeremy Dawkins, Lijia Liu, Yixiang Wang, Lingzi Sang, Mohsen Shakouri, Sixu Deng, Karim Zaghib, Tsun‐Kong Sham, Xia Li   +13 more
wiley   +1 more source