Noncovalent functionalization provides an effective way to modulate the electronic properties of graphene. Recent experimental work has demonstrated that hybrids of dipolar phototransductive molecules tethered to graphene are reversibly tunable in doping. We have studied the electronic structure characteristics of chromophore/graphene hybrids using dispersion-corrected density functional theory. The Dirac point of noncovalently functionalized graphene shifts upward via cis-trans isomerism, which is attributed to a change in the chromophore's dipole moment. Our calculation results reveal that the experimentally observed reversible doping of graphene is attributed to the change in charge transfer between the light-switchable chromophore and graphene via isomerization. Furthermore, we show that by varying the electric field perpendicular to the supramolecular functionalized graphene, additional tailoring of graphene doping can be accomplished.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3539810 | PMC |
| http://dx.doi.org/10.1021/jp311269c | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Atomic Gap-State Engineering of MoS for Alkaline Water and Seawater Splitting.
ACS Nano
January 2025
Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543, Singapore.
Transition-metal dichalcogenides (TMDs), such as molybdenum disulfide (MoS), have emerged as a generation of nonprecious catalysts for the hydrogen evolution reaction (HER), largely due to their theoretical hydrogen adsorption energy close to that of platinum. However, efforts to activate the basal planes of TMDs have primarily centered around strategies such as introducing numerous atomic vacancies, creating vacancy-heteroatom complexes, or applying significant strain, especially for acidic media. These approaches, while potentially effective, present substantial challenges in practical large-scale deployment.
View Article and Find Full Text PDFRecent Advances in the Tunable Optoelectromagnetic Properties of PEDOTs.
Molecules
January 2025
Department of Materials Science and Engineering, University of Utah, Salt Lake City, UT 84112, USA.
Conducting polymers represent a crucial class of functional materials with widespread applications in diverse fields. Among these, poly(3,4-ethylenedioxythiophene) (PEDOT) and its derivatives have garnered significant attention due to their distinctive optical, electronic, and magnetic properties, as well as their exceptional tunability. These properties often exhibit intricate interdependencies, manifesting as synergistic, concomitant, or antagonistic relationships.
View Article and Find Full Text PDFEmergence and tunability of Fermi-pocket and electronic instabilities in layered Nickelates.
J Phys Condens Matter
January 2025
CNRS, LOMA, UMR 5798, Université de Bordeaux, 351 Cr de la Libération, Talence, Nouvelle-Aquitaine, 33400, FRANCE.
Layered Nickelates have gained intensive attention as potential high-temperature superconductors, showing similarities and subtle differences to well-known Cuprates. This study introduces a modelling framework to analyze the tunability of electronic structures by focusing on effective orbitals and additional Fermi pockets, mimicking doping or external pressure qualitatively. It investigates the role of the $3d_{z^2}$ orbital in interlayer hybridization, which leads to the formation of a second pocket in the Fermi surface.
View Article and Find Full Text PDFMOF-derived Carbon-Based Materials for Energy-Related Applications.
Adv Mater
January 2025
State Key Laboratory of Chemical Resource Engineering, College of Chemistry, Beijing University of Chemical Technology, Beijing, 100029, China.
New carbon-based materials (CMs) are recommended as attractively active materials due to their diverse nanostructures and unique electron transport pathways, demonstrating great potential for highly efficient energy storage applications, electrocatalysis, and beyond. Among these newly reported CMs, metal-organic framework (MOF)-derived CMs have achieved impressive development momentum based on their high specific surface areas, tunable porosity, and flexible structural-functional integration. However, obstacles regarding the integrity of porous structures, the complexity of preparation processes, and the precise control of active components hinder the regulation of precise interface engineering in CMs.
View Article and Find Full Text PDFDirect View of Gate-Tunable Miniband Dispersion in Graphene Superlattices Near the Magic Twist Angle.
ACS Nano
January 2025
Department of Physics and Astronomy, Interdisciplinary Nanoscience Center, Aarhus University, Aarhus C 8000, Denmark.
Superlattices from twisted graphene mono- and bilayer systems give rise to on-demand many-body states such as Mott insulators and unconventional superconductors. These phenomena are ascribed to a combination of flat bands and strong Coulomb interactions. However, a comprehensive understanding is lacking because the low-energy band structure strongly changes when an electric field is applied to vary the electron filling.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!