Solid-state FDMR from sundry poly(oxyethylene) alkylphenyl ethers: a verification of the single-step electron tunneling as a cause of the charge mobility in frozen solids at 4-30 K

1993 ◽  
Vol 97 (50) ◽  
pp. 13298-13307 ◽  
Author(s):  
I. A. Shkrob ◽  
A. D. Trifunac
Keyword(s):  
Solid State ◽  
Electron Tunneling ◽  
Single Step ◽  
Charge Mobility

The Influence of Nitrogen Position on Charge Carrier Mobility in Enantiopure Aza[6]helicene Crystals

2018 ◽  
Author(s):  
Francesco Salerno ◽  
Beth Rice ◽  
Julia Schmidt ◽  
Matthew J. Fuchter ◽  
Jenny Nelson ◽  
...  
Keyword(s):  
Solid State ◽  
Charge Carrier ◽  
Carrier Mobility ◽  
Chemical Structure ◽  
Crystal Packing ◽  
Charge Carrier Mobility ◽  
Individual Factor ◽  
Charge Mobility ◽  
Order Of Magnitude ◽  
Small Change

<p>The properties of an organic semiconductor are dependent on both the chemical structure of the molecule involved, and how it is arranged in the solid-state. It is challenging to extract the influence of each individual factor, as small changes in the molecular structure often dramatically change the crystal packing and hence solid-state structure. Here, we use calculations to explore the influence of the nitrogen position on the charge mobility of a chiral organic molecule when the crystal packing is kept constant. The transfer integrals for a series of enantiopure aza[6]helicene crystals sharing the same packing were analysed in order to identify the best supramolecular motifs to promote charge carrier mobility. The regioisomers considered differ only in the positioning of the nitrogen atom in the aromatic scaffold. The simulations showed that even this small change in the chemical structure has a strong effect on the charge transport in the crystal, leading to differences in charge mobility of up to one order of magnitude. Some aza[6]helicene isomers that were packed interlocked with each other showed high HOMO-HOMO integrals (up to 70 meV), whilst molecules arranged with translational symmetry generally afforded the highest LUMO-LUMO integrals (40 - 70 meV). As many of the results are not intuitively obvious, a computational approach provides additional insight into the design of new semiconducting organic materials.</p>

Solid-State Order and Charge Mobility in [5]- to [12]Cycloparaphenylenes

2018 ◽  
Vol 141 (2) ◽  
pp. 952-960 ◽  
Author(s):  
Janice B. Lin ◽  
Evan R. Darzi ◽  
Ramesh Jasti ◽  
Ilhan Yavuz ◽  
K. N. Houk
Keyword(s):  
Solid State ◽  
Charge Mobility

Theory of nucleation in solid state reactions

1968 ◽  
Vol 46 (2) ◽  
pp. 111-116 ◽  
Author(s):  
A. R. Allnatt ◽  
P. W. M. Jacobs
Keyword(s):  
Solid State ◽  
Approximate Model ◽  
Single Step ◽  
Solid State Reactions ◽  
Avrami Equation ◽  
Nucleation Process ◽  
Special Cases ◽  
New Equation ◽  
Kinetics Of ◽  
Short Times

The theory of nucleation in solid state reactions is formulated in a general way and a solution to the problem of multi-step nucleation obtained. Two special cases of the general formulation are considered: the second of these corresponds to Bagdassarian's approximate model and some corrections to his treatment are pointed out. A new equation describing the kinetics of a solid state reaction, which involves multi-step nucleation followed by a constant and isotropic rate of growth, is derived. This equation is termed the generalized Avrami equation since it removes the restriction, in Avrami's treatment, of a single-step nucleation process. Erofeev's analysis of the problem is shown to be valid only in the limit of short times: the generalized Avrami equation reduces to Erofeev's equation in this limit.

scholarly journals Quantification of the solid-state charge mobility in a model radical polymer

2014 ◽  
Vol 104 (21) ◽  
pp. 213306 ◽  
Author(s):  
Aditya G. Baradwaj ◽  
Lizbeth Rostro ◽  
Muhammad A. Alam ◽  
Bryan W. Boudouris
Keyword(s):  
Solid State ◽  
Charge Mobility ◽  
State Charge

Effects of induced optical tunable and ferromagnetic behaviors of Ba doped nanocrystalline LaB6

2016 ◽  
Vol 18 (28) ◽  
pp. 19165-19172 ◽  
Author(s):  
Lihong Bao ◽  
Xiaoping Qi ◽  
Tana Tana ◽  
Lumen Chao ◽  
O. Tegus
Keyword(s):  
Rare Earth ◽  
Solid State ◽  
Solid State Reaction ◽  
Single Step

Multiple nanocrystalline rare-earth hexaborides La1−xBaxB6 have been synthesized via a single step solid-state reaction.

Single-step wet-chemical fabrication of sheet-type electrodes from solid-electrolyte precursors for all-solid-state lithium-ion batteries

2017 ◽  
Vol 5 (39) ◽  
pp. 20771-20779 ◽  
Author(s):  
Dae Yang Oh ◽  
Dong Hyeon Kim ◽  
Sung Hoo Jung ◽  
Jung-Gu Han ◽  
Nam-Soon Choi ◽  
...  
Keyword(s):  
Solid State ◽  
Electrochemical Performance ◽  
Solid Electrolyte ◽  
Lithium Ion Batteries ◽  
Lithium Ion ◽  
Single Step ◽  
Excellent Electrochemical Performance ◽  
Wet Chemical

Sheet-type electrodes, prepared from solid-electrolyte precursors by scalable single-step wet-chemical fabrication, exhibit the excellent electrochemical performance for all-solid-state lithium-ion batteries.

scholarly journals Electron flow through biological molecules: does hole hopping protect proteins from oxidative damage?

2015 ◽  
Vol 48 (4) ◽  
pp. 411-420 ◽  
Author(s):  
Jay R. Winkler ◽  
Harry B. Gray
Keyword(s):  
Oxidative Damage ◽  
Electron Tunneling ◽  
Electron Flow ◽  
Single Step ◽  
Biological Molecules ◽  
Copper Proteins ◽  
Surface Sites ◽  
Flow Through ◽  
Peroxidase Enzymes ◽  
Electron Transfers

AbstractBiological electron transfers often occur between metal-containing cofactors that are separated by very large molecular distances. Employing photosensitizer-modified iron and copper proteins, we have shown that single-step electron tunneling can occur on nanosecond to microsecond timescales at distances between 15 and 20 Å. We also have shown that charge transport can occur over even longer distances by hole hopping (multistep tunneling) through intervening tyrosines and tryptophans. In this perspective, we advance the hypothesis that such hole hopping through Tyr/Trp chains could protect oxygenase, dioxygenase, and peroxidase enzymes from oxidative damage. In support of this view, by examining the structures of P450 (CYP102A) and 2OG-Fe (TauD) enzymes, we have identified candidate Tyr/Trp chains that could transfer holes from uncoupled high-potential intermediates to reductants in contact with protein surface sites.

Sign in / Sign up

Export Citation Format

Share Document