MODELLING CHARGE TRANSPORT IN DNA USING TRANSFER MATRICES WITH DIAGONAL TERMS

2009 ◽  
Author(s):  
STEPHEN A. WELLS ◽  
CHI-TIN SHIH ◽  
RUDOLF A. RÖMER
Keyword(s):  
Charge Transport ◽  
Transfer Matrices

scholarly journals MODELLING CHARGE TRANSPORT IN DNA USING TRANSFER MATRICES WITH DIAGONAL TERMS

2009 ◽  
Vol 23 (20n21) ◽  
pp. 4138-4149 ◽  
Author(s):  
STEPHEN A. WELLS ◽  
CHI-TIN SHIH ◽  
RUDOLF A. RÖMER
Keyword(s):  
Damage Detection ◽  
Charge Transport ◽  
Transport Properties ◽  
Transfer Matrix ◽  
Transfer Matrix Method ◽  
Matrix Method ◽  
Tight Binding ◽  
Transfer Matrices ◽  
Dna Charge Transport ◽  
Binding Models

There is increasing evidence that DNA can support a considerable degree of charge transport along the strand by hopping of holes from one base to another, and that this charge transport may be relevant to DNA regulation, damage detection and repair. A surprisingly useful amount of insight can be gained from the construction of simple tight-binding models of charge transport, which can be investigated using the transfer-matrix method. The data thus obtained indicate a correlation between DNA charge-transport properties and the locations of cancerous mutation. We review models for DNA charge transport and their extension to include more physically realistic diagonal-hopping terms.

Set of open-loop block-diagonalizers of transfer matrices

1989 ◽  
Vol 49 (1) ◽  
pp. 161-168
Author(s):  
A. Bülent Özgü Ler ◽  
Vasfi Eldem
Keyword(s):  
Open Loop ◽  
Transfer Matrices

On a technique for deriving explicit transfer matrices of orthotropic layers

2015 ◽  
Vol 37 (4) ◽  
pp. 303-315 ◽  
Author(s):  
Pham Chi Vinh ◽  
Nguyen Thi Khanh Linh ◽  
Vu Thi Ngoc Anh
Keyword(s):  
Wave Propagation ◽  
Explicit Form ◽  
Half Space ◽  
Transfer Matrix ◽  
Rayleigh Waves ◽  
Secular Equation ◽  
Transfer Matrices ◽  
Orthotropic Layer ◽  
Wave Propagation Problem ◽  
Arbitrary Thickness

This paper presents  a technique by which the transfer matrix in explicit form of an orthotropic layer can be easily obtained. This transfer matrix is applicable for both the wave propagation problem and the reflection/transmission problem. The obtained transfer matrix is then employed to derive the explicit secular equation of Rayleigh waves propagating in an orthotropic half-space coated by an orthotropic layer of arbitrary thickness.

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

2020 ◽  
Author(s):  
Jesse Park ◽  
Brianna Collins ◽  
Lucy Darago ◽  
Tomce Runcevski ◽  
Michael Aubrey ◽  
...  
Keyword(s):  
Charge Transport ◽  
Magnetic Order ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Magnetic Ordering ◽  
Double Exchange ◽  
Itinerant Ferromagnetism ◽  
Organic Solids ◽  
Metal Organic ◽  
Organic Framework

<b>Materials that combine magnetic order with other desirable physical attributes offer to revolutionize our energy landscape. Indeed, such materials could find transformative applications in spintronics, quantum sensing, low-density magnets, and gas separations. As a result, efforts to design multifunctional magnetic materials have recently moved beyond traditional solid-state materials to metal–organic solids. Among these, metal–organic frameworks in particular bear structures that offer intrinsic porosity, vast chemical and structural programmability, and tunability of electronic properties. Nevertheless, magnetic order within metal–organic frameworks has generally been limited to low temperatures, owing largely to challenges in creating strong magnetic exchange in extended metal–organic solids. Here, we employ the phenomenon of itinerant ferromagnetism to realize magnetic ordering at <i>T</i><sub>C</sub> = 225 K in a mixed-valence chromium(II/III) triazolate compound, representing the highest ferromagnetic ordering temperature yet observed in a metal–organic framework. The itinerant ferromagnetism is shown to proceed via a double-exchange mechanism, the first such observation in any metal–organic material. Critically, this mechanism results in variable-temperature conductivity with barrierless charge transport below <i>T</i><sub>C</sub> and a large negative magnetoresistance of 23% at 5 K. These observations suggest applications for double-exchange-based coordination solids in the emergent fields of magnetoelectrics and spintronics. Taken together, the insights gleaned from these results are expected to provide a blueprint for the design and synthesis of porous materials with synergistic high-temperature magnetic and charge transport properties. </b>

Design and Synthesis of Two-Dimensional Covalent Organic Frameworks with Four-Arm Cores: Prediction of Remarkable Ambipolar Charge-Transport Properties

2019 ◽  
Author(s):  
Simil Thomas ◽  
Hong Li ◽  
Raghunath R. Dasari ◽  
Austin Evans ◽  
William Dichtel ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Density Functional ◽  
Polymer Networks ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
X Ray Diffraction ◽  
Zinc Porphyrin ◽  
Design And Synthesis ◽  
Predicted Values

<p>We have considered three two-dimensional (2D) π-conjugated polymer networks (i.e., covalent organic frameworks, COFs) materials based on pyrene, porphyrin, and zinc-porphyrin cores connected <i>via</i> diacetylenic linkers. Their electronic structures, investigated at the density functional theory global-hybrid level, are indicative of valence and conduction bands that have large widths, ranging between 1 and 2 eV. Using a molecular approach to derive the electronic couplings between adjacent core units and the electron-vibration couplings, the three π-conjugated 2D COFs are predicted to have ambipolar charge-transport characteristics with electron and hole mobilities in the range of 65-95 cm<sup>2</sup>V<sup>-1</sup>s<sup>-1</sup>. Such predicted values rank these 2D COFs among the highest-mobility organic semiconductors. In addition, we have synthesized the zinc-porphyrin based 2D COF and carried out structural characterization via powder X-ray diffraction and surface area analysis, which demonstrates the feasability of these electroactive networks.</p>

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