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Recent progress of structures and photoelectric properties of two-dimensional materials under high pressure

MetadataDetails
Publication Date2025-01-01
JournalActa Physica Sinica
AuthorsCHENG Lingying, Huafang Zhang, Yanli Mao
AnalysisFull AI Review Included

Technical Documentation & Analysis: High-Pressure Modulation of 2D Materials

Section titled ā€œTechnical Documentation & Analysis: High-Pressure Modulation of 2D Materialsā€

This research highlights the critical role of high-pressure engineering, primarily utilizing the Diamond Anvil Cell (DAC) technique, in precisely controlling the structural and optoelectronic properties of two-dimensional (2D) materials.

  • Core Mechanism: High pressure acts as a clean, continuous tuning tool, compressing atomic distances, enhancing interlayer coupling, and inducing structural phase transitions in materials like Graphene, Transition Metal Dichalcogenides (TMDs), and Metal Halide Perovskites.
  • Graphene Transitions: Pressure successfully drove few-layer Graphene from a semi-metallic state to a semiconducting state, achieving a bandgap opening up to 2.5 ± 0.3 eV, demonstrating potential for tunable electronic devices.
  • TMDs Phase Control: High pressure triggered structural phase transitions (e.g., 2H to 2H’ in MoSā‚‚) and semiconductor-to-metal transitions (e.g., in MoSā‚‚ and WTeā‚‚), revealing intrinsic correlations between microstructure and macroscopic electrical properties.
  • Perovskite Optimization: Pressure significantly enhanced photoluminescence (PL) intensity (up to 12 times) and enabled bandgap tuning (e.g., 0-260 meV in VC-Graphene metamaterials), crucial for high-efficiency photovoltaic and light-emitting applications.
  • Methodological Reliance: The success of this research relies entirely on high-quality, ultra-hard diamond components (anvils and windows) capable of withstanding pressures up to hundreds of GPa while maintaining exceptional optical transparency for in situ characterization (XRD, Raman, PL, IR).
  • 6CCVD Value Proposition: 6CCVD provides the necessary high-purity Single Crystal Diamond (SCD) components, custom substrates, and metalization services required to replicate and advance these extreme condition experiments.
ParameterValueUnitContext
Maximum DAC Pressure CitedHundredsGPaGeneral capability for high-pressure research
Graphene SCD Transition Pressure52GPaPressure required for sp2-sp3 diamondization
Trilayer Graphene Bandgap Opening2.5 ± 0.3eVObserved at high pressure (Ke et al.)
VC-Graphene Tunable Bandgap Range0 - 260meVAchieved via pressure engineering
MoSā‚‚ Bulk Phase Transition Pressure17.8GPa2H to 2H’ structural change
MoSā‚‚ Multilayer S-M Transition Pressure~20GPaSemiconductor-to-Metal transition
(HA)ā‚‚ (GA)Pbā‚‚I₇ PL Enhancement12TimesMaximum enhancement observed at 1.59 GPa
(BA)ā‚‚PbIā‚„ Resistance Drop10,000TimesObserved at ~34 GPa (S-M transition)
h-BN to w-BN Phase Transition Pressure~13GPaObserved via IR spectroscopy
(BA)ā‚‚PbIā‚„ Bandgap Tunability320meVObserved in the 0-4 GPa range
Tiā‚ƒCā‚‚Tā‚“ Resistance Drop (Cyclic)>90%Observed in the 0.4-2.2 GPa range

The research relies on the synergistic application of high-pressure generation techniques and multimodal in situ characterization, all facilitated by high-quality diamond components.

  1. Pressure Generation:

    • Diamond Anvil Cell (DAC): Utilized to generate static pressures ranging from ambient conditions up to hundreds of GPa.
    • Anvil Material: High-purity Single Crystal Diamond (SCD) anvils are essential for mechanical stability and optical access.
    • Pressure Medium: Liquid or gaseous media (e.g., He, Ne, Ar, or methanol-ethanol 4:1 mixture) were used to ensure quasi-hydrostatic pressure conditions, especially below 10 GPa.
    • Gaskets/Metal Pads: Materials like Rhenium (Re) or Stainless Steel (301/304) were used to seal the sample chamber and protect the diamond anvils.
  2. Pressure Measurement:

    • Ruby Fluorescence: Widely used technique relying on the pressure-induced shift of the ruby R-line fluorescence wavelength.
    • Diamond Raman Spectroscopy: Used for pressure calibration in the range of 30 GPa to hundreds of GPa, based on the shift of the diamond phonon mode.
    • Internal Standards: Using known equations of state (e.g., Au, Pt) measured via X-ray diffraction.
  3. In Situ Characterization Techniques:

    • X-ray Diffraction (XRD): Used with synchrotron radiation to monitor crystal structure evolution and lattice constant changes under pressure.
    • Raman Spectroscopy: Used to track phonon mode shifts (e.g., G and 2D bands in Graphene, A1g and E12g modes in MoSā‚‚) sensitive to strain and structural changes.
    • Photoluminescence (PL) Spectroscopy: Used to track bandgap evolution, exciton behavior, and luminescence efficiency under compression.
    • Optical Absorption/Transmission Spectroscopy (IR/UV-Vis): Used to directly measure bandgap narrowing/opening and absorption coefficient changes.
    • Electrical Transport Measurements: Used to monitor resistance and conductivity changes, confirming semiconductor-to-metal transitions (e.g., in MoSā‚‚ and (BA)ā‚‚PbIā‚„).

6CCVD is uniquely positioned to support and extend high-pressure research on 2D materials by supplying the critical diamond components and specialized material processing required for DAC experiments and advanced device fabrication.

To replicate or extend the high-pressure experiments described, researchers require diamond materials optimized for extreme mechanical stress and optical transparency.

Research Requirement6CCVD SolutionKey Specification
DAC Anvils & WindowsOptical Grade SCD (Single Crystal Diamond)High purity (low N content) for maximum mechanical strength and transparency across UV-Vis-IR spectra (essential for in situ PL, Raman, and IR).
High-Pressure SubstratesThin SCD or PCD WafersCustom thickness (0.1 µm - 500 µm) for minimal background signal interference during optical measurements.
Electrical Transport ElectrodesMetalized SCD/PCD SubstratesSCD or PCD plates with custom metalization (Au, Pt, Ti, W) for in situ electrical measurements under GPa pressures.
BDD Electrodes (Future Work)Boron-Doped Diamond (BDD)Highly conductive BDD films (up to 500 µm thick) for stable, high-pressure electrochemical or transport studies, offering superior chemical inertness compared to traditional metals.

The complexity of high-pressure 2D material research demands highly customized components. 6CCVD’s in-house capabilities directly address these needs:

  • Custom Dimensions and Geometry:
    • We provide SCD and PCD plates/wafers up to 125 mm in diameter.
    • Crucially, we offer precision laser cutting and shaping for DAC anvils, specialized windows, and micro-patterned substrates, ensuring exact fit and alignment for high-pressure cells.
  • Surface Quality for 2D Growth:
    • The paper emphasizes the importance of layer quality and interface effects. 6CCVD guarantees ultra-low roughness polishing (Ra < 1 nm for SCD, Ra < 5 nm for inch-size PCD), providing ideal, defect-free surfaces for 2D material growth or transfer.
  • Advanced Metalization Services:
    • The electrical transport studies (e.g., on Csā‚‚PbIā‚‚Clā‚‚) require stable, high-pressure electrodes. 6CCVD offers custom thin-film deposition of Au, Pt, Pd, Ti, W, and Cu, allowing researchers to define complex electrode geometries directly on the diamond substrate.

6CCVD’s in-house PhD team specializes in the material science of CVD diamond and its application in extreme environments. We offer authoritative professional consultation to assist researchers in:

  • Material Selection: Choosing the optimal diamond grade (Type IIa SCD vs. PCD) and thickness for specific in situ characterization modalities (e.g., maximizing IR transparency or minimizing PL background).
  • DAC Component Design: Assisting with the design and fabrication of custom DAC anvils and gaskets to achieve specific pressure ranges and hydrostatic conditions for similar high-pressure optoelectronic modulation projects.
  • Interface Engineering: Providing expertise on surface preparation and metalization recipes to ensure robust electrical contacts that survive GPa-level compression.

For custom specifications or material consultation, visit 6ccvd.com or contact our engineering team directly.

View Original Abstract

Two-dimensional (2D) materials, due to their outstanding photoelectric properties, have demonstrated significant potential in both fundamental scientific research and future technological applications, including optoelectronics, energy storage, and conversion devices, establishing them as a cutting-edge research field in condensed matter physics and materials science. The distinctive layered structure of 2D materials renders their physical properties highly sensitive to external stimuli. High-pressure technology, serving as an efficient, continuous, and clean tuning tool, enables precise structural control and optimization of the photoelectric properties of 2D materials by compressing atomic distances, strengthening interlayer coupling, and even inducing structural phase transitions. This article focuses on prototypical two-dimensional materials, including graphene, transition metal dichalcogenides (TMDs), and two-dimensional metal halide perovskites. Employing the diamond anvil cell combined with multimodal <i>in situ</i> high-pressure characterization techniques such as X-ray diffraction, Raman spectroscopy, photoluminescence, and electrical transport measurements, we systematically elucidate the effects of high pressure on the structural and photoelectric properties of these materials. The key findings indicate that high pressure can induce the graphene to transition from a semimetal state to a semiconducting state, even a superconducting state, triggering off structural phase transitions and semiconductor-to-metal transitions in TMDs such as MoS<sub>2</sub> and WTe<sub>2</sub>, and leading to a pressure-dependent bandgap narrowing and significant enhancement of luminescence intensity in two-dimensional perovskites. This work highlights the utility of high-pressure techniques in revealing the intrinsic correlations between the microstructure and macroscopic properties of two-dimensional materials. Furthermore, it discusses the key challenges and opportunities in this emerging research area, providing insights into the development and practical application of novel functional materials.