Researchers Decipher Electronic Secrets of MoS2-Graphene-Metal Interfaces,Paving the Way for Advance

EDINBURG, Texas - EntSun -- Researchers Decipher Electronic Secrets of
MoS2-Graphene-Metal Interfaces,
Paving the Way for Advanced Nanoelectronics
Edinburg, TX – 05/05/2025 – A groundbreaking study published in Surfaces and Interfaces on May 1,
2025, reveals how combining atomically thin materials like molybdenum disulfide (MoS2) and graphene
with metals can dramatically alter their electronic and optical properties. The research, led by scientists
at The University of Texas-Rio Grande Valley and collaborators, provides a roadmap for designing next-
generation nanoelectronic and optoelectronic devices.
Key Discoveries:

• Platinum's unique influence: MoS2/graphene/Pt interfaces exhibit the highest work function and

largest bandgap, making them promising for high-performance electronics.

• Breaking the Dirac cone: Graphene insertion between MoS2 and nickel/platinum disrupts graphene's

characteristic electronic structure – a crucial finding for quantum material engineering.

• Copper and nickel create semiconductors: These metals transform graphene into an n-type

semiconductor in the heterostructure, valuable for transistor applications.

• Defects matter: Sulfur vacancies introduce flat electronic bands that could enable new optical

transitions.

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"This work connects fundamental physics with practical material design," explained the research
team. "By understanding how different metals affect these ultrathin interfaces, we can tailor them for
specific technologies."
The study combined sophisticated density functional theory calculations with experimental validation
to probe these exotic material systems. High-resolution simulations and illustrations are available upon
request.
Publication Details:
Title: Integrated Density Functional Theory and Experimental Study of Optical and Electronic Properties
for MoS2/(Metal=Au, Pt, Ni, Cu) and MoS2/Graphene/Metal Heterointerfaces
Journal: Surfaces and Interfaces
DOI: [https://doi.org/10.1016/j.surfin.2025.106610]
Research Team:
Shishir Timilsena, Muhammad I. Bhatti, Nicholas Dimakis (UT Rio Grande Valley);
Sanju Gupta (Penn State/Gdansk University of Technology)

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Media Contact:
Shishir Timilsena
Department of Physics and Astronomy
University of Texas-Rio Grande Valley
shishir.timilsena01@utrgv.edu — 9565966630
Notes to Editors:
1
1. Ideal for science/tech reporters covering nanotechnology, quantum materials, or semiconductor
innovation.
2. Visuals available: Simulated atomic structures, electronic band diagrams, and optical property
plots.
3. The team is available for interviews to discuss implications for flexible electronics, sensors, and
energy technologies.