scholarly journals The local electron attachment energy and the electrostatic potential as descriptors of surface–adsorbate interactions

2019 ◽  
Vol 21 (31) ◽  
pp. 17001-17009 ◽  
Author(s):  
Joakim Halldin Stenlid ◽  
Adam Johannes Johansson ◽  
Tore Brinck
Keyword(s):  
Electrostatic Potential ◽  
Electron Attachment ◽  
Surface Reactivity ◽  
Local Surface ◽  
Local Electron ◽  
Attachment Energy

Local DFT-based properties are used for fast rationalization and accurate estimations of local surface reactivity of metal and oxide compounds.

scholarly journals Probing Local Surface Reactivity With Hydrogen Molecules-Realizing an Atom/Molecule Scanning Probe-

Shinku ◽  
2003 ◽  
Vol 46 (5) ◽  
pp. 391-396 ◽  
Author(s):  
Wilson Agerico DIÑO ◽  
Hideaki KASAI ◽  
Ayao OKIJI ◽  
Nelson B. ARBOLEDA Jr. ◽  
Katsuyuki FUKUTANI ◽  
...  
Keyword(s):  
Surface Reactivity ◽  
Scanning Probe ◽  
Local Surface ◽  
Hydrogen Molecules

Scattering Dynamics of Hydrogen Molecules on Metal Alloy Surfaces –Probing Local Surface Reactivity with Hydrogen Molecules–

2001 ◽  
Vol 70 (12) ◽  
pp. 3491-3494 ◽  
Author(s):  
Wilson Agerico Diño ◽  
Katsuyuki Fukutani ◽  
Tatsuo Okano ◽  
Hideaki Kasai ◽  
Ayao Okiji ◽  
...  
Keyword(s):  
Surface Reactivity ◽  
Metal Alloy ◽  
Local Surface ◽  
Hydrogen Molecules

Acceleration of cold ions at separatrices of symmetric collisionless magnetic reconnection

2020 ◽  
Author(s):  
Evgeny Gordeev ◽  
Andrey Divin ◽  
Ivan Zaitsev ◽  
Vladimir Semenov ◽  
Yuri Khotyaintsev ◽  
...  
Keyword(s):  
Electric Field ◽  
Magnetic Reconnection ◽  
Electric Fields ◽  
Electrostatic Potential ◽  
Potential Drop ◽  
Local Electron ◽  
One Dimensional ◽  
Particle In Cell ◽  
Background Population ◽  
Cold Ions

<p>Separatrices of magnetic reconnection host intense perpendicular Hall electric fields produced by decoupling of ion and electron components and associated with the in-plane electrostatic potential drop between inflow and outflow regions. The width of these structures is several local electron inertial lengths, which is small enough to demagnetize ions as they cross the layer. We investigate temperature dependence of ion acceleration at separatrices by means of 2D Particle-in-Cell (PIC) simulations of magnetic reconnection with only cold or hot ion background population. The separatrix Hall electric field is balanced by the inertia term in cold background simulations, the effect indicative of the quasi-steady local perpendicular acceleration. The electric field introduces a cross-field beam of unmagnetized particles which makes the temperature strongly non-gyrotropic and susceptible to sub-ion scale instabilities. This acceleration mechanism nearly vanishes for hot ion background simulations. Particle-in-cell simulations are complemented by one-dimensional test particle calculations, which show that the hot ion particles experience scattering in energies after crossing the accelerating layer, whereas cold ions are uniformly energized up to the energies comparable to the electrostatic potential drop between the inflow and outflow regions.</p>

scholarly journals Local Interactions of Atmospheric Oxygen with MoS2 Crystals

Materials ◽  
2021 ◽  
Vol 14 (20) ◽  
pp. 5979
Author(s):  
Robert Szoszkiewicz
Keyword(s):  
Energy Harvesting ◽  
Computer Simulations ◽  
State Of The Art ◽  
Atmospheric Oxygen ◽  
Surface Reactivity ◽  
Local Surface ◽  
Future Directions ◽  
Thermally Induced ◽  
Mechanistic Insight ◽  
Open Questions

Thin and single MoS2 flakes are envisioned to contribute to the flexible nanoelectronics, particularly in sensing, optoelectronics and energy harvesting. Thus, it is important to study their stability and local surface reactivity. Their most straightforward surface reactions in this context pertain to thermally induced interactions with atmospheric oxygen. This review focuses on local and thermally induced interactions of MoS2 crystals and single MoS2 flakes. First, experimentally observed data for oxygen-mediated thermally induced morphological and chemical changes of the MoS2 crystals and single MoS2 flakes are presented. Second, state-of-the-art mechanistic insight from computer simulations and arising open questions are discussed. Finally, the properties and fate of the Mo oxides arising from thermal oxidation are reviewed, and future directions into the research of the local MoS2/MoOx interface are provided.

The Electron Attachment Energy of the Aqueous Hydroxyl Radical Predicted from the Detachment Energy of the Aqueous Hydroxide Anion

2009 ◽  
Vol 131 (17) ◽  
pp. 6046-6047 ◽  
Author(s):  
Christopher Adriaanse ◽  
Marialore Sulpizi ◽  
Joost VandeVondele ◽  
Michiel Sprik
Keyword(s):  
Hydroxyl Radical ◽  
Electron Attachment ◽  
Hydroxide Anion ◽  
Attachment Energy
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