scholarly journals Molecular dynamics study on scattering characteristics of nitrogen molecules from platinum surface by molecular beam method

AIP Advances ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 095028
Author(s):  
Hang Yu ◽  
Ye Zhang ◽  
Fan Yang ◽  
Hua Li
Keyword(s):  
Molecular Dynamics ◽  
Molecular Beam ◽  
Platinum Surface ◽  
Beam Method

InGaAlAs /InGaAs and InAlAs/InGaAlAs Quantum-Well Structures Grown by MBE Using Pulsed Molecular Beam Method

1986 ◽  
Vol 25 (Part 2, No. 7) ◽  
pp. L598-L600 ◽  
Author(s):  
Toshio Fujii ◽  
Yoshiaki Nakata ◽  
Shunichi Muto ◽  
Satoshi Hiyamizu
Keyword(s):  
Quantum Well ◽  
Molecular Beam ◽  
Quantum Well Structures ◽  
Beam Method

On the interface of organic aerosols: molecular level understanding of surface melting, mixing and water adsorption/desorption dynamics

2021 ◽  
Author(s):  
Josip Lovrić ◽  
Xiangrui Kong ◽  
Sofia M. Johansson ◽  
Erik S. Thomson ◽  
Jan B. C. Pettersson
Keyword(s):  
Physical Chemistry ◽  
Molecular Dynamics ◽  
Melting Point ◽  
Molecular Beam ◽  
Molecular Level ◽  
Organic Aerosols ◽  
Md Simulations ◽  
Valeric Acid ◽  
Good Representative ◽  
Hydrophilic Character

<p>The detailed description of organic aerosols surfaces in the atmosphere remains an open issue, which limits our ability to understand and predict environmental change. Important research questions concern the hydrophobic/hydrophilic character of fresh and aged aerosols and the related influence on water uptake in solid, liquid as well in intermediate state.  Also, surface characterization remains big challenge but we find it reachable by conjunction of Molecular Dynamics (MD) simulations and the environmental molecular beam (EMB) experimental method.  A  picture of the detailed molecular-level behavior of water molecules on organic surfaces is beginning to rise based on detailed experimental and theoretical studies; one example is a recent study that investigates water interactions with solid and liquid n-butanol near the melting point [1], another example focus on interaction of water with solid nopinone [2]. From the other side, in order to characterize surface properties during and before melting we employ MD simulations of n-butanol, nopinone and valeric acid. Nopinone (C<sub>9</sub>H<sub>14</sub>O) is a reaction product formed during oxidation of β-pinene and has been found in both the gas and particle phases of atmospheric aerosol. n-butanol (C<sub>4</sub>H<sub>9</sub>OH) is primary alcohol, naturally occurs scarcely and here serves as good representative for alcohols. In the same way valeric acid (CH<sub>3</sub>(CH<sub>2</sub>)<sub>3</sub>COOH) serves as a good representative for a family of carboxylic acids. Valeric acid is, as n-butanol, straight-chain molecule. We show that a classical force field for organic material is able to model crystal and liquid structures. The surface properties near the melting point of the condensed phase are reported, and the hydrophobic and hydrophilic character of the surface layer is discussed.  Overall surface melting dynamic is presented and quantified in the terms of structural and geometrical properties. Mixing of a methanol with the solid nopinone surface is examined and hereby presented.</p><p><strong>References</strong></p><p>[1] Johansson, S. M., Lovrić, J., Kong, X., Thomson, E. S., Papagiannakopoulos, P., Briquez, S., Toubin, C, Pettersson, J. B. C. (2019). Understanding water interactions with organic surfaces: environmental molecular beam and molecular dynamics studies of the water–butanol system. Physical Chemistry Chemical Physics. https://doi.org/10.1039/C8CP04151B   </p><p>[2] Johansson, S. M., Lovrić, J., Kong, X., Thomson, E. S., Hallquist, M., & Pettersson, J. B. C. (2020). Experimental and Computational Study of Molecular Water Interactions with Condensed Nopinone Surfaces Under Atmospherically Relevant Conditions. The Journal of Physical Chemistry A, acs.jpca.9b10970. https://doi.org/10.1021/acs.jpca.9b10970</p><p>Keywords: Molecular Dynamics, organic crystal, organic aerosols, water uptake, surface procesess, molecular level</p>

Molecular beam study of CO oxidation on a (111) platinum surface

1974 ◽  
Vol 60 (4) ◽  
pp. 1453-1463 ◽  
Author(s):  
Robert L. Palmer ◽  
Joe N. Smith
Keyword(s):  
Co Oxidation ◽  
Molecular Beam ◽  
Platinum Surface

Molecular Dynamics Simulations on O 2 Permeation through Nafion Ionomer on Platinum Surface

2016 ◽  
Vol 188 ◽  
pp. 767-776 ◽  
Author(s):  
Ryosuke Jinnouchi ◽  
Kenji Kudo ◽  
Naoki Kitano ◽  
Yu Morimoto
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Platinum Surface ◽  
Dynamics Simulations
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