Results 61 to 70 of about 1,061,074 (328)

Modeling of orthosilicate and methanesulfonic acid clusters in aqueous solution

Фізика і хімія твердого тіла, 2023
In the work using the quantum-chemical modeling method, the possibility of binding orthosilicate acid with different amounts of methanesulfonate anions was considered. It was demonstrated that methanesulfonic acid forms two hydrogen bonds with a molecule
A.H. Mandryka, O.O. Pasenko, V.H. Vereschak, Y.S. Osokin   +3 more
doaj   +1 more source

Formation of Cyanoformaldehyde in the interstellar space

, 2013
Cyanoformaldehyde (HCOCN) molecule has recently been suspected towards the Sagittarius B2(N) by the Green Bank telescope, though a confirmation of this observation has not yet been made.
Chakrabarti, Sandip K., Chakrabarti, Sonali, Das, Ankan, Majumdar, Liton, Saha, Rajdeep   +4 more
core   +1 more source

Quantum‐chemical modeling of squaric acid ferroelectric behavior

International Journal of Quantum Chemistry, 2010
AbstractThe properties of layered 2d‐ferroelectric and at the same time 3d‐antiferroelectric materials H2C4O4/D2C4O4 are studied by quantum‐chemical approach using pseudospin formalism in frames of Ising‐type model Hamiltonian with tunneling terms.
Dolin S.P., Levin A.A., Mikhailova T.Yu., Solin M.V., Zinova N.V.   +4 more
openaire   +3 more sources

Mechanochemical Synthesis and Characterization of Nanostructured ErB4 and NdB4 Rare‐Earth Tetraborides

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur, Faruk Kaya, Bora Derin, Mustafa Lütfi Öveçoğlu, Ju Li, Duygu Ağaoğulları   +5 more
wiley   +1 more source

Structure, Thermal Properties and Proton Conductivity of the Sulfonated Polyphenylquinoxalines

Membranes, 2022
This paper briefly reviews the results of scientific research on the proton conductivity of sulfonated polyphenylquinoxalines. Synthesis, structure (IR spectroscopy, SEM, quantum-chemical modeling, molecular weight distribution), moisture capacity ...
Anna V. Pisareva, Nataliya M. Belomoina, Elena G. Bulycheva, Mikhail M. Ilyin, Evgeniya Y. Postnova, Rostislav V. Pisarev, Tatiana S. Zyubina, Alexander S. Zyubin, Alexander I. Karelin, Yury A. Dobrovolsky   +9 more
doaj   +1 more source

Trace Nickel Activated Biphasic Core‐CuOii/Shell‐CuOi Secondary Microspheres Enable Room Temperature Parts‐Per‐Trillion‐Level NO2 Detection

Advanced Engineering Materials, EarlyView.
An idea of designing novel sensors is proposed by creating appropriate Schottky barriers and vacancies between isomorphous Core‐CuOii/ Shell‐CuOi secondary microspheres and enhancing catalytic and spill‐over effects, and electronegativity via spontaneous biphasic separation, self‐assembly, and trace‐Ni‐doping.
Bala Ismail Adamu, Peipei Chen, Shafia Mukhtar Ibrahim, Mukhtar Lawan Adam, Attia Falak, Mokhotjwa Simon Dhlamini, Hanfu Wang, Lingxiang Jiang, Weiguo Chu   +8 more
wiley   +1 more source

The computer quantum chemical modeling of basic magnesium carbonate stabilized by biopolymers

Современная наука и инновации
As part of this work, computer quantum chemical modeling of the stabilization of basic magnesium carbonate by biopolymer molecules: hydroxyethylcellulose, methylcellulose, chitosan and hyaluronic acid was carried out.
A. V. Blinov, A. A. Gvozdenko, A. B. Golik, M. A. Kolodkin, M. A. Pirogov   +4 more
doaj   +1 more source

Sustainable Synthesis of Bio‐Based Magnetic and Conductive Wood for Electromagnetic Interference Shielding Applications

Advanced Engineering Materials, EarlyView.
A wood‐based magnetic and conductive material called Magwood (MW), capable of blocking almost 99.99% of electromagnetic waves (in the X‐band frequency range), is synthesized using a simple, solvent‐free process. MW is lightweight, resists water, and is flame‐retardant, making it a promising alternative for shielding electronics. The rapid proliferation
Akash Madhav Gondaliya, Majed Amini, Mohammad Arjmand, Earl Johan Foster   +3 more
wiley   +1 more source

Design Rules for High Performance Tunnel Transistors from 2D Materials

, 2016
Tunneling field-effect transistors (TFETs) based on 2D materials are promising steep sub-threshold swing (SS) devices due to their tight gate control. There are two major methods to create the tunnel junction in these 2D TFETs: electrical and chemical ...
Appenzeller, Joerg, Ilatikhameneh, Hesameddin, Klimeck, Gerhard, Rahman, Rajib   +3 more
core   +1 more source

Influence of an Argon/Silane Atmosphere on the Temperature of a Thermal Plasma

Advanced Engineering Materials, EarlyView.
The influence of a silane‐doped argon atmosphere on the chemical composition and temperature of a thermal nontransferring argon plasma is investigated using optical emission spectroscopy. As a result of the high amount of free electrons resulting from the stepwise ionization and dissociation of the silane molecule, even a silane addition of 0.01 vol ...
Lena Kreie, David Kramer, Thomas Scheithauer, Hans Jürgen Maier, Thomas Hassel   +4 more
wiley   +1 more source