Theoretical study of elementary steps in the reactions between aluminum and teflon fragments under combustive environments
M Losada, S Chaudhuri - The Journal of Physical Chemistry A, 2009 - ACS Publications
Gas-phase reactions between aluminum particles and Teflon fragments were studied to
develop a fundamental understanding of the decomposition reactions and combustion …
develop a fundamental understanding of the decomposition reactions and combustion …
Atomistic mechanisms for the nucleation of aluminum oxide nanoparticles
A predictive model for nanoparticle nucleation has not yet been successfully achieved.
Classical nucleation theory fails because the atomistic nature of the seed has to be …
Classical nucleation theory fails because the atomistic nature of the seed has to be …
Correlation Study of the Spin–Orbit State-Resolved Scattering of Al(2P) in Oxidation Reaction and Nonreactive Collision
F Li, D Yan, Y Ma, A Xu, C Dong, T Zhou… - The Journal of …, 2023 - ACS Publications
Spin–orbit coupling plays an important role in chemical reactivity, especially in reactions that
require the change of electron spin states. However, it is difficult to measure and analyze the …
require the change of electron spin states. However, it is difficult to measure and analyze the …
Radiation-damage-induced defects in quartz. I. Single-crystal W-band EPR study of hole centers in an electron-irradiated quartz
MJ Nilges, Y Pan, RI Mashkovtsev - Physics and Chemistry of Minerals, 2008 - Springer
Single-crystal W-band electron paramagnetic resonance (EPR) spectra of an electron-
irradiated quartz, measured at room temperature, 110 and 77 K, disclose three previously …
irradiated quartz, measured at room temperature, 110 and 77 K, disclose three previously …
Spectroscopy and structure of free radicals stabilized in cryogenic matrices
EG Baskir, EY Misochko… - Russian Chemical …, 2009 - iopscience.iop.org
The results of spectroscopic (mainly vibrational IR spectroscopy and EPR spectroscopy)
studies of radicals stabilized in solid inert-gas matrices are considered. Attention is focused …
studies of radicals stabilized in solid inert-gas matrices are considered. Attention is focused …
The harpooning mechanism as evidenced in the oxidation reaction of the Al atom
The harpooning mechanism has long been proposed for elementary reaction dynamics
involving metals. It is characterized by an initial electron transfer (ET) process from the metal …
involving metals. It is characterized by an initial electron transfer (ET) process from the metal …
Fabrication and characterization of a-IGZO thin-film transistors with and without passivation layers
The thin-film transistors (TFTs) devices based on amorphous indium gallium zinc oxide (a-
InGaZnO, a-IGZO) films were fabricated and characterized in this paper. We have employed …
InGaZnO, a-IGZO) films were fabricated and characterized in this paper. We have employed …
Evaluation of the reaction rate constants for the gas-phase Al-CH4–air combustion chemistry
AS Sharipov, NS Titova, AM Starik - Combustion Theory and …, 2012 - Taylor & Francis
The most likely reaction pathways and reaction products in the Al-CH4-O2-N2 system are
investigated using density functional theory and ab initio calculations. The B3LYP functional …
investigated using density functional theory and ab initio calculations. The B3LYP functional …
Kinetic study of the reactions of AlO and OAlO relevant to planetary mesospheres
TP Mangan, JM Harman-Thomas… - ACS Earth and Space …, 2020 - ACS Publications
Aluminum atoms are injected into planetary upper atmospheres by meteoric ablation. Rapid
oxidation of Al by O2 to form AlO is then likely to be followed by reactions with O3, O2, and …
oxidation of Al by O2 to form AlO is then likely to be followed by reactions with O3, O2, and …
A global 2A ″state potential energy surface for the Al (2P)+ O2 (Σg− 3)→ AlO (2Σ+)+ O (3P) reaction based on the doubly hybrid functional XYG3
A global 2A″ state potential energy surface for the Al (2P) + O2 (Σg−3) → AlO (2Σ+) + O (3P)
reaction based on the doubly hybrid functional XYG3 | The Journal of Chemical Physics | AIP …
reaction based on the doubly hybrid functional XYG3 | The Journal of Chemical Physics | AIP …