The dynamics of neutral diglycine collision with highly oriented pyrolytic graphite (HOPG) were studied by molecular dynamics simulations using a reactive force field. The simulations were performed at an initial incident energy of 481.5 kJ/mol for four different initial incident polar angles of 0°, 20°, 45°, and 70°, and a surface temperature of 677 K. The angular, translational and internal energy, and residence time distributions of the scattered products were determined and analyzed. As a polyatomic molecule, diglycine has several low frequency vibrational modes and shows a rather strong attraction to HOPG, which leads to a long residence time on the surface and facile energy loss, particularly along the normal surface. Since there is significant normal momentum lost while parallel momentum is partially conserved, the scattering angular distribution is found to be generally superspecular and the final translational energies are much lower than the values predicted by the so-called hard-cube model. This study extends our knowledge of collisional energy transfer during collisions of polypeptide molecules with HOPG, which is expected to help the design of a neutral-gas concentrator for the fly-by collection of such molecules in rarefied atmospheres.
Skip Nav Destination
Dynamics studies of diglycine scattering from highly oriented pyrolytic
graphite†
Article navigation
April 2020
Research Article|
April 01 2020
Dynamics studies of diglycine scattering from highly oriented pyrolytic
graphite†
Lin-sen Zhou;
Department of Chemistry and Chemical Biology, University of New
Mexico
, Albuquerque NM 87131, USA
Search for other works by this author on:
Ying-qi Wang;
Ying-qi Wang
Department of Chemistry and Chemical Biology, University of New
Mexico
, Albuquerque NM 87131, USA
Search for other works by this author on:
Chin. J. Chem. Phys. 33, 196–202 (2020)
Article history
Received:
January 28 2020
Accepted:
February 16 2020
Citation
Lin-sen Zhou, Ying-qi Wang, Hua Guo; Dynamics studies of diglycine scattering from highly oriented pyrolytic graphite. Chin. J. Chem. Phys. 1 April 2020; 33 (2): 196–202. https://doi.org/10.1063/1674-0068/cjcp2001013
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
Understanding photolysis of CH3ONO2 with on-the-fly nonadiabatic dynamics simulation at the ADC(2) level
Juanjuan Zhang, Jiawei Peng, et al.
Mechanistic insights into intramolecular energy transfer dynamics in photosensitizers for triplet-triplet annihilation upconversion
Tingting Fu, Yaxiong Wei, et al.
Anion photoelectron imaging and theoretical study of Cu(CO)3−
Zhen Li, Wenli Liu, et al.
Related Content
Performance evaluation of household pyrolytic stove: Effect of outer air holes condition
AIP Conference Proceedings (March 2017)
Effect of Catalyst Properties on Hydrocracking of Pyrolytic Lignin to Liquid Fuel in Supercritical Ethanol
Chin. J. Chem. Phys. (April 2015)
Photothermal actuation of levitated pyrolytic graphite revised
APL Mater. (October 2021)
Chemical vapor deposition of pyrolytic boron nitride from borazine
J. Vac. Sci. Technol. A (January 2000)
Effects of in situ pyrolytic-gas passivation on reliability of ultrathin silicon oxide gate films
J. Vac. Sci. Technol. B (October 2002)