Determining the Molecular Dipole Orientation on Nanoplasmonic Structures

2018 ◽  
Vol 122 (29) ◽  
pp. 16901-16908 ◽  
Author(s):  
Thomas A. R. Purcell ◽  
Shira Yochelis ◽  
Yossi Paltiel ◽  
Tamar Seideman
Keyword(s):  
Dipole Orientation ◽  
Molecular Dipole

scholarly journals Tailoring the Interfacial Band Offset by the Molecular Dipole Orientation for a Molecular Heterojunction Selector

2021 ◽  
pp. 2101390
Author(s):  
Jung Sun Eo ◽  
Jaeho Shin ◽  
Seunghoon Yang ◽  
Takgyeong Jeon ◽  
Jaeho Lee ◽  
...  
Keyword(s):  
Band Offset ◽  
Dipole Orientation ◽  
Molecular Dipole

scholarly journals ENABLING STAR FORMATION VIA SPONTANEOUS MOLECULAR DIPOLE ORIENTATION IN ICY SOLIDS

2016 ◽  
Vol 832 (1) ◽  
pp. 1 ◽  
Author(s):  
Alexander Rosu-Finsen ◽  
Jérôme Lasne ◽  
Andrew Cassidy ◽  
Martin R. S. McCoustra ◽  
David Field
Keyword(s):  
Star Formation ◽  
Dipole Orientation ◽  
Molecular Dipole

scholarly journals Tailoring the Interfacial Band Offset by the Molecular Dipole Orientation for a Molecular Heterojunction Selector (Adv. Sci. 21/2021)

2021 ◽  
Vol 8 (21) ◽  
pp. 2170143
Author(s):  
Jung Sun Eo ◽  
Jaeho Shin ◽  
Seunghoon Yang ◽  
Takgyeong Jeon ◽  
Jaeho Lee ◽  
...  
Keyword(s):  
Band Offset ◽  
Dipole Orientation ◽  
Molecular Dipole

scholarly journals Determination of molecular dipole orientation in doped fluorescent organic thin films by photoluminescence measurements

2010 ◽  
Vol 96 (7) ◽  
pp. 073302 ◽  
Author(s):  
Jörg Frischeisen ◽  
Daisuke Yokoyama ◽  
Chihaya Adachi ◽  
Wolfgang Brütting
Keyword(s):  
Thin Films ◽  
Organic Thin Films ◽  
Dipole Orientation ◽  
Molecular Dipole

scholarly journals Assigning a structural motif using spontaneous molecular dipole orientation in thin films

2018 ◽  
Vol 20 (46) ◽  
pp. 29038-29044 ◽  
Author(s):  
M. Roman ◽  
A. Dunn ◽  
S. Taj ◽  
Z. G. Keolopile ◽  
A. Rosu-Finsen ◽  
...  
Keyword(s):  
Thin Films ◽  
Methyl Formate ◽  
Structural Motif ◽  
Crystalline Solid ◽  
Dipole Orientation ◽  
Infrared Observations ◽  
Molecular Dipole

Guided by the spontelectric behaviour of thin films of cis-methyl formate, infrared observations and computational investigations reveal the dimer structural motif of the crystalline solid.

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...

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