Biochemistry and theory of proton-coupled electron transfer

A Migliore, NF Polizzi, MJ Therien… - Chemical reviews, 2014 - ACS Publications
Through incremental change, Nature reworks and repurposes its functional machinery. In
this way, proteins that photochemically repair DNA by moving protons and electrons have a …

Mechanisms for DNA charge transport

JC Genereux, JK Barton - Chemical reviews, 2010 - ACS Publications
DNA charge transport (CT) chemistry has received considerable attention by scientific
researchers over the past 15 years since our first provocative publication on long-range CT …

Effect of electronic polarization on charge-transport parameters in molecular organic semiconductors

EF Valeev, V Coropceanu… - Journal of the …, 2006 - ACS Publications
Theoretical investigations of charge transport in organic materials are generally based on
the “energy splitting in dimer” method and routinely assume that the transport parameters …

Density-functional tight-binding: basic concepts and applications to molecules and clusters

F Spiegelman, N Tarrat, J Cuny, L Dontot… - … in physics: X, 2020 - Taylor & Francis
The scope of this article is to present an overview of the Density Functional based Tight
Binding (DFTB) method and its applications. The paper introduces the basics of DFTB and …

A 300-fold conductivity increase in microbial cytochrome nanowires due to temperature-induced restructuring of hydrogen bonding networks

PJ Dahl, SM Yi, Y Gu, A Acharya, C Shipps, J Neu… - Science …, 2022 - science.org
Although proteins are considered as nonconductors that transfer electrons only up to 1 to 2
nanometers via tunneling, Geobacter sulfurreducens transports respiratory electrons over …

Spin-selective transport of electrons in DNA double helix

AM Guo, Q Sun - Physical review letters, 2012 - APS
The experiment that the high spin selectivity and the length-dependent spin polarization are
observed in double-stranded DNA [Science 331, 894 (2011) SCIEAS 0036-8075 …

Enhancing Carrier Transport via σ‐Linkage Length Modulation in D‐σ‐A Semiconductors for Photocatalytic Oxidation

W Liu, C He, S Huang, K Zhang, W Zhu… - Angewandte …, 2023 - Wiley Online Library
Carrier transport is an equally decisive factor as carrier separation for elevating
photocatalytic efficiency. However, limited by indefinite structures and low crystallinities …

Vibration-enhanced spin-selective transport of electrons in the DNA double helix

GF Du, HH Fu, R Wu - Physical Review B, 2020 - APS
The spin-selective transport through helical molecules has been a hot topic in condensed
matter physics, because it develops a new research direction in spintronics, ie, chiro …

Read between the molecules: computational insights into organic semiconductors

G Gryn'ova, KH Lin, C Corminboeuf - Journal of the American …, 2018 - ACS Publications
The performance and key electronic properties of molecular organic semiconductors are
dictated by the interplay between the chemistry of the molecular core and the intermolecular …

Mechanism of charge transport in self-organizing organic materials

FC Grozema, LDA Siebbeles - International Reviews in Physical …, 2008 - Taylor & Francis
Currently there is great interest in the use of organic materials as the active component in
opto-electronic devices such as field-effect transistors, light-emitting diodes, solar cells and …