Reactions of C(3P) and C+(2P) with NH3 Studied Spectroscopically at Hyperthermal Energies

Ottinger, Christoph; Kowalski, A.

doi:10.1021/jp014635b

Cited by 14 publications

(20 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The Gaussian DOS model can only be solved numerically by varying E 0 and σ to obtain the best fit to the experimental data. For an exponential DOS distribution, on the other hand, an analytical model was expressed as a function of the film thickness, d. [46,47]…”

Section: Kelvin Probe Methods For Characterizing Tail States Disordermentioning

confidence: 99%

Unifying Energetic Disorder from Charge Transport and Band Bending in Organic Semiconductors

Karki

Wetzelaer

Reddy

et al. 2019

Adv Funct Materials

View full text Add to dashboard Cite

Characterizing the density of states (DOS) width accurately is critical in understanding the charge-transport properties of organic semiconducting materials as broader DOS distributions lead to an inferior transport. From a morphological standpoint, the relative densities of ordered and disordered regions are known to affect charge-transport properties in films; however, a comparison between molecular structures showing quantifiable ordered and disordered regions at an atomic level and its impact on DOS widths and charge-transport properties has yet to be made. In this work, for the first time, the DOS distribution widths of two model conjugated polymer systems are characterized using three different techniques. A quantitative correlation between energetic disorder from band-bending measurements and charge transport is established, providing direct experimental evidence that chargecarrier mobility in disordered materials is compromised due to the relaxation of carriers into the tail states of the DOS. Distinction and quantification of ordered and disordered regions of thin films at an atomic level is achieved using solid-state NMR spectroscopy. An ability to compare solid-state film morphologies of organic semiconducting polymers to energetic disorder, and in turn charge transport, can provide useful guidelines for applications of organic conjugated polymers in pertinent devices.

show abstract

Section: Kelvin Probe Methods For Characterizing Tail States Disordermentioning

confidence: 99%

Unifying Energetic Disorder from Charge Transport and Band Bending in Organic Semiconductors

Karki

Wetzelaer

Reddy

et al. 2019

Adv Funct Materials

View full text Add to dashboard Cite

show abstract

“…Therefore, first input values of the rate constants, k i→ j and k j→i , were obtained by neglecting multiple inelastic collisions ͑i.e., assuming single-collision conditions͒. 20 We have adopted for Eq. ͑1͒ that the pressure of the parent gas, CHBr 3 , is so small that quenching and relaxation by it can be neglected.…”

Section: B Rotational Relaxation Of Ch"avä0n… By Comentioning

confidence: 99%

Rotationally resolved quenching and relaxation of CH(A2Δ,v=0,N) in the presence of CO

Meden

Kind

Stuhl

2002

The Journal of Chemical Physics

View full text Add to dashboard Cite

Rate coefficients for reaction and for rotational energy transfer in collisions between CN in selected rotational levels ( X Σ + 2 , v = 2 , N = 0 , 1, 6, 10, 15, and 20) and C 2 H 2 Fate of isolated CH (B 2 Σ − ,v=0,J) states in inelastic collisions with CO Kinetic properties of the single rotational states 2рNр8 of the electronically excited CH(A 2 ⌬,vϭ0) radical have been studied in the gas phase at room temperature in the presence of CO. Rate constants of the state-to-state relaxation are presented. Further, rate constants were determined for the electronic quenching of single N states and compared with data recently reported by Cerezo and Martin ͓J. Photochem. Photobiol., A 134, 127 ͑2000͔͒. The radiative lifetimes of the rotational levels are given, too.

show abstract

“…[ 45 ] Multicomponent gaseous systems are discussed within the GENERIC framework in the work of Öttinger. [ 46 ] Here we follow the development of the multicomponent ideal mixtures described in Balakrishnan et al. [ 47 ] extended to include nonideal effects as discussed in Donev et al.…”

Section: Fluid Dynamics On Meso‐scalesmentioning

confidence: 99%

Particle–Continuum Coupling and its Scaling Regimes: Theory and Applications

Site

Praprotnik

Bell

et al. 2020

Advcd Theory and Sims

View full text Add to dashboard Cite

This work is motivated by the goal of designing simulation software for technical devices that, at their functional core, rely on atomistic-scale processes embedded in a larger-scale fluid environment. The core of the problem is the conceptual and technical approach for coupling particle and continuum representations of a fluid. The state of the art for key aspects including physical modeling, mathematical formalization, computational implementation, and applications, is discussed and organized in a consistent picture across the relevant physical regimes.Key building blocks of the related developments that we will summarize and appraise in some detail below are i) finite volume FHD solvers following Bell, Donev, Garcia, Nonaka and colleagues [4] (see Section 2), ii) the "adaptive resolution simulation" (AdResS) approach that enables molecular dynamics simulations on limited size domains [5][6][7] (see Section 3), and iii) the recent mathematical formalization of open molecular systems by two of the authors [8] (see Section 4). In Section 5, we discuss scaling regimes and the rationale behind possible MD-FHD coupling strategies, finally, Section 6 is dedicated to the description of some representative examples, while Section 7 outlines future perspectives and summarizes our conclusions.

show abstract

Reactions of C(³P) and C⁺(²P) with NH₃ Studied Spectroscopically at Hyperthermal Energies

Cited by 14 publications

References 35 publications

Unifying Energetic Disorder from Charge Transport and Band Bending in Organic Semiconductors

Unifying Energetic Disorder from Charge Transport and Band Bending in Organic Semiconductors

Rotationally resolved quenching and relaxation of CH(A2Δ,v=0,N) in the presence of CO

Particle–Continuum Coupling and its Scaling Regimes: Theory and Applications

Contact Info

Product

Resources

About