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Nanomaterials
Special Issues
Surface and Interfacial Sciences of Low-Dimensional Nanomaterials
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Surface and Interfacial Sciences of Low-Dimensional Nanomaterials

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Synthesis, Interfaces and Nanostructures".

Deadline for manuscript submissions: 17 October 2025 | Viewed by 1582

Special Issue Editors

Dr. Xin Zhang

E-Mail Website
Guest Editor
School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710119, China
Interests: on-surface syntheses; molecular self-assembly; scanning tunneling microscopy
Prof. Dr. Jianzhi Gao

E-Mail Website
Guest Editor
School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710119, China
Interests: molecular self-assembly; thin-film growth

Special Issue Information

Dear Colleagues,

Surface and interface science of low-dimensional nanomaterials is critical for functional nanomaterials with applications in energy storage, biomedicine, and other nanotechnologies. An accurate and comprehensive understanding of the structural, dynamical, and electronic properties of surfaces and interfaces has been a challenge for the scientific community.

The scope of this issue ranges from the prediction and synthesis of low-dimensional nanomaterials to property regulation and practical applications.

This Special Issue focuses on the surface and interface science of low-dimensional nanomaterials, including but not limited to the study of physicochemical phenomena in novel low-dimensional materials with potential for engineering applications.

In this Special Issue, original research articles and reviews are welcome. Research areas may include (but are not limited to) the following:

  • Thin-film growth;
  • Self-assembly;
  • Interface electronics and chemical reactions.

We look forward to receiving your contributions.

Dr. Xin Zhang
Prof. Dr. Jianzhi Gao
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Nanomaterials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • low-dimensional nanomaterials
  • surface and interface
  • van der Waals heterostruture
  • syntheses
  • electronic properties

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (3 papers)

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Research

13 pages, 4740 KiB  
Article
Explore the Structural and Electronic Properties at the Organic/Organic Interfaces of Thiophene-Based Supramolecular Architectures
by Lixia Kang, Hui Lu, Shunze Xia, Xianfei Xu, Yao Tian and Zechao Yang
Nanomaterials 2025, 15(8), 601; https://doi.org/10.3390/nano15080601 - 14 Apr 2025
Viewed by 243
Abstract
The structural and electronic properties at organic/organic interfaces determine the functionality of organic electronics. Here, we investigated the structural and electronic properties at interfaces between methyl-substituted dicyanovinyl-quinquethiophenes (DCV5T-Me2) and other electron acceptor molecules, namely fullerene (C60) and tetracyanoquinodimethane (TCNQ), [...] Read more.
The structural and electronic properties at organic/organic interfaces determine the functionality of organic electronics. Here, we investigated the structural and electronic properties at interfaces between methyl-substituted dicyanovinyl-quinquethiophenes (DCV5T-Me2) and other electron acceptor molecules, namely fullerene (C60) and tetracyanoquinodimethane (TCNQ), by using low-temperature scanning tunneling microscopy/spectroscopy (STM/STS). Upon adsorption on Au(111), DCV5T-Me2 molecules self-assemble into compact islands at sub-monolayer coverage through hydrogen bonding and electrostatic interactions. A similar bonding configuration dominates in the second layer of a bilayer film, where DCV5T-Me2 possesses higher-lying LUMO (lowest unoccupied molecular orbital) and LUMO+1 in energy due to a decoupling effect. The co-deposition of DCV5T-Me2 and C60 does not result in ordered hybrid assemblies at the sub-monolayer coverage on Au(111). On the other hand, C60 molecules can self-assemble into ordered islands on top of the DCV5T-Me2 monolayer. The dI/dV spectra reveal that the LUMO of decoupled C60 is 400 mV lower in energy than the LUMO of decoupled DCV5T-Me2. This energy difference facilitates electron transfer from DCV5T-Me2 to C60. The co-deposition of DCV5T-Me2 and TCNQ leads to the formation of hybrid nanostructures. A tip-induced electric field can manipulate the charging and discharging of TCNQ by surrounding DCV5T-Me2, manifested as sharp peaks and dips in dI/dV spectra recorded over TCNQ. Full article
(This article belongs to the Special Issue Surface and Interfacial Sciences of Low-Dimensional Nanomaterials)
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15 pages, 10765 KiB  
Article
Structural and Electronic Properties of Thiophene-Based Supramolecular Architectures: Influence of the Underlying Metal Surfaces
by Lixia Kang, Yao Tian, Hui Lu, Shunze Xia, Xianfei Xu and Zechao Yang
Nanomaterials 2025, 15(8), 572; https://doi.org/10.3390/nano15080572 - 9 Apr 2025
Viewed by 237
Abstract
Dicyanovinyl (DCV)-substituted oligothiophenes consist of both electron donor and acceptor ligands, which makes them promising materials for organic electronics. Here, we studied the structural and electronic properties of methyl-substituted dicyanovinyl-quinquethiophenes (DCV5T-Me2) adsorbed on different metal surfaces, namely Au(111), Ag(111), and Cu(111), [...] Read more.
Dicyanovinyl (DCV)-substituted oligothiophenes consist of both electron donor and acceptor ligands, which makes them promising materials for organic electronics. Here, we studied the structural and electronic properties of methyl-substituted dicyanovinyl-quinquethiophenes (DCV5T-Me2) adsorbed on different metal surfaces, namely Au(111), Ag(111), and Cu(111), by using low-temperature scanning tunneling microscopy/spectroscopy (STM/STS). It is found that the assembled structures of DCV5T-Me2 and the corresponding electronic properties vary depending on the underlying substrates. On Au(111) and Ag(111), compact organic islands are formed through intermolecular hydrogen bonding and electrostatic interactions. The lowest unoccupied molecular orbital (LUMO) and LUMO+1 of DCV5T-Me2 are lower in energy on Ag(111) than those on Au(111), due to the stronger molecule–surface interaction when adsorbed on Ag(111). Moreover, orbital distributions of the LUMO and LUMO+1 in dI/dV maps on Au(111) and Ag(111) are the same as the DFT-calculated orbital distributions in gas phase, which indicates physisorption. In contrast, chemisorption dominates on Cu(111), where no ordered assemblies of DCV5T-Me2 could be formed and resonances from the LUMO and LUMO+1 vanish. The present study highlights the key role of molecule–substrate interactions in determining the properties of organic nanostructures and provides valuable insights for designing next-generation organic electronics. Full article
(This article belongs to the Special Issue Surface and Interfacial Sciences of Low-Dimensional Nanomaterials)
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11 pages, 4552 KiB  
Article
Theoretical Investigation of Elastic, Electronic, and Thermodynamic Properties of Half-Heusler Semiconductors ZrNiPb and ZrPdPb Under Pressure
by Xiaorui Chen, Xin Zhang, Zhibin Shao, Jianzhi Gao and Minghu Pan
Nanomaterials 2025, 15(3), 241; https://doi.org/10.3390/nano15030241 - 5 Feb 2025
Viewed by 651
Abstract
The half-Heusler semiconductors ZrNiPb and ZrPdPb have attracted considerable attention due to their excellent thermoelectric performance, owing largely to their appropriate energy bandgap. However, the bandgap is sensitive to pressure, which may influence their thermoelectric behavior. In this study, the effects of pressure [...] Read more.
The half-Heusler semiconductors ZrNiPb and ZrPdPb have attracted considerable attention due to their excellent thermoelectric performance, owing largely to their appropriate energy bandgap. However, the bandgap is sensitive to pressure, which may influence their thermoelectric behavior. In this study, the effects of pressure on the elastic, electronic, and thermodynamic properties of the half-Heusler semiconductors ZrNiPb and ZrPdPb are investigated based on first-principles calculations combined with the quasi-harmonic Debye model. After verifying their structural, dynamic, and mechanical stability, we found a small indirect bandgap of 0.36 eV for ZrNiPb and 0.49 eV for ZrPdPb, and they increase with increasing pressure. According to the obtained elastic modulus, ZrNiPb and ZrPdPb become more and more ductile as the pressure increases. In addition, the thermodynamic properties of ZrNiPb and ZrPdPb are investigated using the quasi-harmonic Debye model, as implemented in the Gibbs program, which will provide a reference for the experiment. Full article
(This article belongs to the Special Issue Surface and Interfacial Sciences of Low-Dimensional Nanomaterials)
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