A novel hydrogenic spectroscopic technique for inferring the role of plasma-molecule interaction on power and particle balance during detached conditions

The role of cavity losses on non-adiabatic couplings and dynamics in polaritonic chemistry

10.26434/chemrxiv.12673259 ◽

2020 ◽

Author(s):

Panayiota Antoniou ◽

Figen Suchanek ◽

James F. Varner ◽

Jonathan Foley

Keyword(s):

Degrees Of Freedom ◽

Surface Hopping ◽

Strongly Coupled ◽

Trans Isomerization ◽

Dissipation Rates ◽

Molecule Interaction

We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate cis-trans isomerization can be dramatically modified by photonic dissipation. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization yields are strongly suppressed for moderate dissipation rates, and that cavity-free isomerization dynamics are recovered under large dissipation rates. These findings highlight the important role that the finitelifetime of photonic degrees of freedom play in polaritonic chemistry.

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Effects of Hydrogen Atoms on Passivation and Growth of Microcrystalline Si

MRS Proceedings ◽

10.1557/proc-164-205 ◽

1989 ◽

Vol 164 ◽

Cited By ~ 9

Author(s):

Toshimichi Ito ◽

Tatsuro Yasumatsu ◽

Hirokuni Watabe ◽

Motohiro Iwami ◽

Akio Hiraki

Keyword(s):

Thermal Stability ◽

Porous Silicon ◽

Molecular Orbital Calculation ◽

Spectroscopic Technique ◽

Am1 Method ◽

Hydrogen Atoms ◽

Total Energies ◽

Semi Empirical ◽

Thermal Stability Of

AbstractEffects of hydrogen atoms bonded to silicon atoms on microcrystalline surfaces in a μc-Si:H and anodized porous silicon have been investigated using infrared spectroscopic technique and a semi-empirical molecular-orbital calculation (AM1 method). Experimental results on thermal stability of the Si-H bonds and oxidation of H-covered Si can be explained consistently in terms of system total energies and heats of formation of various clusters constructed by 13–18 Si and 18–24 H atoms (with an additional 0 atom). Possible role of H on the growth of μ c-Si:H is discussed in relation to stable Si-H bonds.

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The role of cavity losses on non-adiabatic couplings and dynamics in polaritonic chemistry

10.26434/chemrxiv.12673259.v3 ◽

2020 ◽

Author(s):

Panayiota Antoniou ◽

Figen Suchanek ◽

James F. Varner ◽

Jonathan Foley

Keyword(s):

Degrees Of Freedom ◽

Surface Hopping ◽

Strongly Coupled ◽

Trans Isomerization ◽

Dissipation Rates ◽

Molecule Interaction

We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate cis-trans isomerization can be dramatically modified by photonic dissipation. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization yields are strongly suppressed for moderate to large photon dissipation rates. These findings highlight the important role that the finitelifetime of photonic degrees of freedom play in polaritonic chemistry.

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The Role of Cavity Losses in Polaritonic Chemistry

10.26434/chemrxiv.12673259.v1 ◽

2020 ◽

Author(s):

Panayiota Antoniou ◽

Figen Suchanek ◽

James F. Varner ◽

Jonathan Foley

Keyword(s):

Degrees Of Freedom ◽

Surface Hopping ◽

Strongly Coupled ◽

Trans Isomerization ◽

Dissipation Rates ◽

Molecule Interaction

We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate the cis-trans isomerization can be dramatically modified by the inclusion of the photonic dissipation into the polaritonic Hamiltonian. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization rates are strongly suppressed for moderate to large photon dissipation rates. These findings highlight the important role that the nite lifetime of photonic degrees of freedom play in polaritonic chemistry.

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Photo-ionization and the electrical breakdown of gases

Proceedings of the Royal Society of London Series A - Mathematical and Physical Sciences ◽

10.1098/rspa.1953.0100 ◽

1953 ◽

Vol 218 (1133) ◽

pp. 206-223 ◽

Cited By ~ 11

Keyword(s):

Cross Sections ◽

Electrical Breakdown ◽

Secondary Emission ◽

Ionization Process ◽

Predominant Role ◽

Quantitative Investigation ◽

Ionization Coefficients ◽

Photo Ionization ◽

Molecule Interaction

A quantitative theoretical investigation is made of the role of photo-ionization of the gas in the development of ionization currents in gases under uniform fields. Using published values of the relevant absorption coefficients and atomic cross-sections, the theory is applied to the case of air, and the results then compared with those previously obtained experimentally, It is shown that photo-ionization can lead to electrical breakdown only under certain restricted conditions, which relate the ionization coefficients and atomic cross-sections for photon-molecule interaction; these restrictions are such that there must be considerable penetration of the gas by ionizing photons, and in many cases a high proportion of all the photons thus reach the cathode. It is also found that the theoretical curve for the growth of current, obtained on the assumption that photo-ionization is the only operative secondary ionization process, has the same general form as the growth curve based on the other secondary processes, e. g. secondary emission from the cathode; there are, however, significant differences in detail. This quantitative investigation supports the view that photo-ionization does not play a predominant role as a secondary ionization process leading to the electrical breakdown of air at values of p x d ~ 760 cm mm Hg in uniform fields.

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The Role of Hydrogen Bonding in Paracetamol–Solvent and Paracetamol–Hydrogel Matrix Interactions

Materials ◽

10.3390/ma14081842 ◽

2021 ◽

Vol 14 (8) ◽

pp. 1842

Author(s):

Marta Miotke-Wasilczyk ◽

Marek Józefowicz ◽

Justyna Strankowska ◽

Jerzy Kwela

Keyword(s):

Hydrogen Bonding ◽

Dipole Moments ◽

Release Kinetics ◽

Spectroscopic Technique ◽

Release Time ◽

Solvent Interactions ◽

Hydrogel Matrix ◽

Matrix Interactions ◽

The Difference

The photophysical and photochemical properties of antipyretic drug – paracetamol (PAR) and its two analogs with different substituents (acetanilide (ACT) and N-ethylaniline (NEA)) in 14 solvents of different polarity were investigated by the use of steady–state spectroscopic technique and quantum–chemical calculations. As expected, the results show that the spectroscopic behavior of PAR, ACT, and NEA is highly dependent on the nature of the solute–solvent interactions (non-specific (dipole-dipole) and specific (hydrogen bonding)). To characterize these interactions, the multiparameter regression analysis proposed by Catalán was used. In order to obtain a deeper insight into the electronic and optical properties of the studied molecules, the difference of the dipole moments of a molecule in the ground and excited state were determined using the theory proposed by Lippert, Mataga, McRae, Bakhshiev, Bilot, and Kawski. Additionally, the influence of the solute polarizability on the determined dipole moments was discussed. The results of the solvatochromic studies were related to the observations of the release kinetics of PAR, ACT, and NEA from polyurethane hydrogels. The release kinetics was analyzed using the Korsmayer-Peppas and Hopfenberg models. Finally, the influence of the functional groups of the investigated compounds on the release time from the hydrogel matrix was analyzed.

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The role of cavity losses on non-adiabatic couplings and dynamics in polaritonic chemistry

10.26434/chemrxiv.12673259.v2 ◽

2020 ◽

Cited By ~ 1

Author(s):

Panayiota Antoniou ◽

Figen Suchanek ◽

James F. Varner ◽

Jonathan Foley

Keyword(s):

Degrees Of Freedom ◽

Surface Hopping ◽

Strongly Coupled ◽

Trans Isomerization ◽

Dissipation Rates ◽

Molecule Interaction

We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate cis-trans isomerization can be dramatically modified by photonic dissipation. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization yields are strongly suppressed for moderate to large photon dissipation rates. These findings highlight the important role that the finitelifetime of photonic degrees of freedom play in polaritonic chemistry.

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The role of cavity losses on non-adiabatic couplings and dynamics in polaritonic chemistry

10.26434/chemrxiv.12673259.v4 ◽

2020 ◽

Author(s):

Panayiota Antoniou ◽

Figen Suchanek ◽

James F. Varner ◽

Jonathan Foley

Keyword(s):

Degrees Of Freedom ◽

Surface Hopping ◽

Strongly Coupled ◽

Trans Isomerization ◽

Dissipation Rates ◽

Molecule Interaction

We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate cis-trans isomerization can be dramatically modified by photonic dissipation. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization yields are strongly suppressed for moderate dissipation rates, and that cavity-free isomerization dynamics are recovered under large dissipation rates. These findings highlight the important role that the finitelifetime of photonic degrees of freedom play in polaritonic chemistry.

Download Full-text