Electronic Structure and Transport Properties of Two-Dimensional Materials

A special issue of Nanomaterials (ISSN 2079-4991).

Deadline for manuscript submissions: 28 November 2025 | Viewed by 506

Special Issue Editor

Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, NY 11973-5000, USA
Interests: surface science; 2D materials; 2D electronic transport; atomic and electronic structure characterization
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Two-dimensional materials, compared to bulk materials, offer unique and advanced electronic, magnetic, optical, and catalytic properties, along with quantum effects, due to their atomic thickness, enabling greater flexibility, miniaturization, and technological integration. In light of these advancements, Nanomaterials is pleased to announce and invite submissions for a Special Issue titled “Electronic Structure and Transport Properties of Two-Dimensional Materials”. This Special Issue aims to highlight the recent progress and address the key challenges in understanding the relationship between atomic structure, electronic structure, and transport properties in 2D materials. We welcome contributions on the current trends in this field, including but not limited to the following topics:

  1. Heterostructures: stacking and twisting different 2D materials to tailor new advanced properties.
  2. Dopants and Defect Management: impact of dopants or defects on electronic and transport behaviors, along with innovative strategies for defect control.
  3. Strain Engineering: effects of mechanical strain on the electronic and transport properties of 2D materials.
  4. Spintronic Applications: spin-dependent properties of 2D materials and their use in spintronic devices.
  5. Advanced 2D Material Fabrication: techniques for synthesizing and fabricating new 2D materials with controlled properties, including methods for large-scale production.
  6. Topological Phases: exploring exotic quantum states for quantum computing.
  7. 2D Material Integration: challenges and solutions for integrating 2D materials into practical devices and systems.
  8. Thermoelectric Applications: enhancements in thermoelectric properties and their applications in energy conversion and management.
  9. Energy Applications: utilizing 2D materials in energy storage and conversion technologies, like batteries and fuel cells.
  10. Computational and Theoretical Studies: advances in modeling and simulations to predict and understand the behavior of 2D materials.
  11. Understanding Fundamental Mechanisms: elucidating the principles governing the electronic and transport properties of 2D materials.
  12. Machine Learning for Discovery: using machine learning to predict and optimize new 2D materials and their properties.

Dr. Xiao Tong
Guest Editor

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Keywords

  • 2D materials and heterostructures
  • electronic structure
  • electronic transport
  • TMDs
  • van der Waals stacking
  • topological insulators
  • spintronic
  • magnetic
  • monolayers
  • strain and defect engineering
  • STM
  • ARPES

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Published Papers (1 paper)

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Review

33 pages, 4446 KiB  
Review
Electrical Transport Interplay with Charge Density Waves, Magnetization, and Disorder Tuned by 2D van der Waals Interface Modification via Elemental Intercalation and Substitution in ZrTe3, 2H-TaS2, and Cr2Si2Te6 Crystals
by Xiao Tong, Yu Liu, Xiangde Zhu, Hechang Lei and Cedomir Petrovic
Nanomaterials 2025, 15(10), 737; https://doi.org/10.3390/nano15100737 - 14 May 2025
Viewed by 203
Abstract
Electrical transport in 2D materials exhibits unique behaviors due to reduced dimensionality, broken symmetries, and quantum confinement. It serves as both a sensitive probe for the emergence of coherent electronic phases and a tool to actively manipulate many-body correlated states. Exploring their interplay [...] Read more.
Electrical transport in 2D materials exhibits unique behaviors due to reduced dimensionality, broken symmetries, and quantum confinement. It serves as both a sensitive probe for the emergence of coherent electronic phases and a tool to actively manipulate many-body correlated states. Exploring their interplay and interdependence is crucial but remains underexplored. This review integratively cross-examines the atomic and electronic structures and transport properties of van der Waals-layered crystals ZrTe3, 2H-TaS2, and Cr2Si2Te6, providing a comprehensive understanding and uncovering new discoveries and insights. A common observation from these crystals is that modifying the atomic and electronic interface structures of 2D van der Waals interfaces using heteroatoms significantly influences the emergence and stability of coherent phases, as well as phase-sensitive transport responses. In ZrTe3, substitution and intercalation with Se, Hf, Cu, or Ni at the 2D vdW interface alter phonon–electron coupling, valence states, and the quasi-1D interface Fermi band, affecting the onset of CDW and SC, manifested as resistance upturns and zero-resistance states. We conclude here that these phenomena originate from dopant-induced variations in the lattice spacing of the quasi-1D Te chains of the 2D vdW interface, and propose an unconventional superconducting mechanism driven by valence fluctuations at the van Hove singularity, arising from quasi-1D lattice vibrations. Short-range in-plane electronic heterostructures at the vdW interface of Cr2Si2Te6 result in a narrowed band gap. The sharp increase in in-plane resistance is found to be linked to the emergence and development of out-of-plane ferromagnetism. The insertion of 2D magnetic layers such as Mn, Fe, and Co into the vdW gap of 2H-TaS2 induces anisotropic magnetism and associated transport responses to magnetic transitions. Overall, 2D vdW interface modification offers control over collective electronic behavior, transport properties, and their interplays, advancing fundamental science and nanoelectronic devices. Full article
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