Molecular dipole-driven electronic structure modifications of DNA/RNA nucleobases on graphene

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F17%3A00484525" target="_blank" >RIV/68378271:_____/17:00484525 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1021/acs.jpclett.7b01283" target="_blank" >http://dx.doi.org/10.1021/acs.jpclett.7b01283</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpclett.7b01283" target="_blank" >10.1021/acs.jpclett.7b01283</a>

Result language

angličtina

Original language name

Molecular dipole-driven electronic structure modifications of DNA/RNA nucleobases on graphene

Original language description

The emergence of graphene in recent years provides exciting avenues for achieving fast, reliable DNA/RNA sensing and sequencing. Here we explore the possibility of enhancing electronic fingerprints of nucleobases adsorbed on graphene by tuning the surface coverage and modifying molecular dipoles using first-principles calculations. We demonstrate that intermolecular interactions have a strong influence on the adsorption geometry and the electronic structure of the nucleobases, resulting in tilted configurations and a considerable modification of their electronic fingerprints in graphene. Our analysis reveals that the molecular dipole of the nucleobase molecules plays a dominant role in the electronic structure of graphene−nucleobase systems, inducing significant changes in the work functions and energy level alignments at the interface. These results highlight tunable control of the molecular signals in graphene by optimizing the surface contact between nucleobases and graphene.n

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/GA14-15357S" target="_blank" >GA14-15357S: Strain engineering of electronic structure in graphene</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2017

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Physical Chemistry Letters

ISSN

1948-7185

e-ISSN

—

Volume of the periodical

8

Issue of the periodical within the volume

13

Country of publishing house

US - UNITED STATES

Number of pages

8

Pages from-to

3087-3094

UT code for WoS article

000405252600049

EID of the result in the Scopus database

2-s2.0-85021911006