scholarly journals Electroproduction of heavy quarkonia: Significance of dipole orientation

2021 ◽  
Vol 103 (9) ◽  
Author(s):  
B. Z. Kopeliovich ◽  
M. Krelina ◽  
J. Nemchik
Keyword(s):  
Heavy Quarkonia ◽  
Dipole Orientation

Molecular Characterization of the Surface Excess Charge Layer in Droplets

2020 ◽  
Author(s):  
Victor Kwan ◽  
Styliani Consta
Keyword(s):  
Hydrogen Bonds ◽  
Surface Charge ◽  
Droplet Size ◽  
Chloride Ions ◽  
Total Charge ◽  
Excess Charge ◽  
Surface Excess ◽  
High Concentration ◽  
Dipole Orientation ◽  
Charge Layer

<div>Charged droplets play a central role in native mass spectrometry, atmospheric aerosols and in serving as micro-reactors for accelerating chemical reactions. The surface excess charge layer in droplets has often been associated with distinct chemistry. Using molecular simulations for droplets with Na+ and Cl- ions we have found that this layer is ≈ 1.5−1.7 nm thick and depending on the droplet size it includes 33%-55% of the total number of ions. Here, we examine the effect of droplet size and nature of ions in the structure of the surface excess charge layer by using molecular dynamics. We find that in the presence of simple ions the thickness of the surface excess charge layer is invariant not only with respect to droplet size but also with respect to the nature of the simple ions and it is not sensitive to fine details of different force fields used in our simulations.</div><div> In the presence of macroions the excess surface charge layer may extend to 2.0. nm. For the same droplet size, iodide and model hydronium ions show considerably higher concentration than the sodium and chloride ions. <br></div><div>We also find that differences in the average water dipole orientation in the presence of cations and anions in this layer are reflected in the charge distributions. Within the surface charge layer, the number of hydrogen bonds reduces gradually relative to the droplet interior where the number of hydrogen bonds is on the average 2.9 for droplets of diameter < 4 nm and 3.5 for larger droplets. The decrease in the number of hydrogen bonds from the interior to the surface is less pronounced in larger droplets. In droplets with diameter < 4 nm and high concentration of ions the charge of the ions is not compensated only by the solvent polarization charge but by the total charge that also includes the other free charge. This finding shows exceptions to the commonly made assumption that the solvent compensates the charge of the ions in solvents with very high dielectric constant. The study provides molecular insight into the bi-layer droplet structure assumed in the equilibrium partitioning model of C. Enke and assesses critical assumptions of the Iribarne-Thomson model for the ion-evaporation mechanism. <br></div>

Influence of metal phthalocyanine molecular orientation on charge separation at organic donor/acceptor interface

2021 ◽  
Author(s):  
Heeseon Lim ◽  
Sena Yang ◽  
Sang-Hoon Lee ◽  
Jung-Yong Lee ◽  
Yeunhee Lee ◽  
...  
Keyword(s):  
Solar Cell ◽  
Charge Separation ◽  
Molecular Orientation ◽  
Organic Solar Cell ◽  
Metal Phthalocyanine ◽  
Dipole Orientation ◽  
Highly Efficient ◽  
Donor Acceptor

To achieve a highly efficient organic solar cell (OPVs), control of molecular orientation is one of prime important factors, for interfacial dipole orientation and energy offset at donor/acceptor (D/A) interface...

scholarly journals Exclusive heavy vector meson electroproduction to NLO in collinear factorisation

2021 ◽  
Vol 2021 (8) ◽  
Author(s):  
C. A. Flett ◽  
J. A. Gracey ◽  
S. P. Jones ◽  
T. Teubner
Keyword(s):  
Phase Space ◽  
Vector Meson ◽  
Heavy Quarkonia ◽  
Diffractive Scattering ◽  
Meson Electroproduction

Abstract We compute the exclusive electroproduction, γ*p → Vp, of heavy quarkonia V to NLO in the collinear factorisation scheme, which has been formally proven for this process. The inclusion of an off-shell virtuality Q2 carried by the photon extends the photoproduction phase space of the exclusive heavy quarkonia observable to electroproduction kinematics. This process is relevant for diffractive scattering at HERA and the upcoming EIC, as well as at the proposed LHeC and FCC.

scholarly journals Energy loss of heavy quarkonia in hot QCD plasmas

2021 ◽  
Vol 103 (5) ◽  
Author(s):  
Juhee Hong ◽  
Su Houng Lee
Keyword(s):  
Energy Loss ◽  
Heavy Quarkonia

scholarly journals Probing intramolecular vibronic coupling through vibronic-state imaging

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Fan-Fang Kong ◽  
Xiao-Jun Tian ◽  
Yang Zhang ◽  
Yun-Jie Yu ◽  
Shi-Hao Jing ◽  
...  
Keyword(s):  
Single Molecule ◽  
Molecular Spectroscopy ◽  
Transition Density ◽  
Real Space ◽  
Vibronic Coupling ◽  
Vibronic State ◽  
Dipole Orientation ◽  
Transition Dipole ◽  
Franck Condon ◽  
Strong Dynamic

AbstractVibronic coupling is a central issue in molecular spectroscopy. Here we investigate vibronic coupling within a single pentacene molecule in real space by imaging the spatial distribution of single-molecule electroluminescence via highly localized excitation of tunneling electrons in a controlled plasmonic junction. The observed two-spot orientation for certain vibronic-state imaging is found to be evidently different from the purely electronic 0–0 transition, rotated by 90°, which reflects the change in the transition dipole orientation from along the molecular short axis to the long axis. Such a change reveals the occurrence of strong vibronic coupling associated with a large Herzberg–Teller contribution, going beyond the conventional Franck–Condon picture. The emergence of large vibration-induced transition charges oscillating along the long axis is found to originate from the strong dynamic perturbation of the anti-symmetric vibration on those carbon atoms with large transition density populations during electronic transitions.

scholarly journals The thermal width of heavy quarkonia moving in quark–gluon plasma

2008 ◽  
Vol 659 (3) ◽  
pp. 621-627 ◽  
Author(s):  
Taesoo Song ◽  
Yongjae Park ◽  
Su Houng Lee ◽  
Cheuk-Yin Wong
Keyword(s):  
Quark Gluon Plasma ◽  
Gluon Plasma ◽  
Heavy Quarkonia

scholarly journals Pseudovector heavy quarkonia in e + e −2 collisions

JETP Letters ◽  
1996 ◽  
Vol 63 (8) ◽  
pp. 601-606 ◽  
Author(s):  
N. N. Achasov
Keyword(s):  
Heavy Quarkonia
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