arXiv subjects

Leyi Loh

Publications and source records attributed to Leyi Loh.

7 recordsLinked to original sources

arXiv2026

Context-Aware Deep Learning for Defect Classification in Atomic-Resolution STEM

Artificial intelligence is rapidly advancing materials characterization, yet most applications in electron microscopy rely solely on image contrast, overlooking the chemical and experimental context that shapes image formation. This limitation makes defect classification inherently ambiguous, as similar contrasts can arise from different materials or imaging conditions. Here we develop a context-aware learning framework that integrates image-derived contrast with metadata describing composition, beam energy, and detector geometry. Using a systematically constructed dataset of ~55 million simulated patches spanning 576 cases across 96 doped monolayer transition-metal dichalcogenides, we show that conditioning on contextual variables transforms defect classification from an ill-posed image-only task into a well-posed, physically grounded problem. The framework achieves over 98% accuracy on simulations and near-human agreement on experimental data, with a 94% reduction in posterior entropy. By emphasizing contextual grounding over architectural complexity, this approach links experimental image contrast to the underlying chemical and imaging conditions, supporting physically grounded defect assignments and a general pathway toward multimodal AI models for autonomous materials characterization.

cond-mat.mtrl-sci↗

arXiv2025

Dielectric and gate metal engineering for threshold voltage modulation in enhancement mode monolayer MoS2 field effect transistors

Excellent gate electrostatics in field effect transistors (FETs) based on two-dimensional transition metal dichalcogenide (2D TMD) channels can dramatically decrease static power dissipation. Energy efficient FETs operate in enhancement mode with small and positive threshold voltage (Vth) for n-type devices. However, most state-of-the-art FETs based on monolayer MoS2 channel operate in depletion mode with negative Vth due to doping from the underlying dielectric substrate. In this work, we identify key properties of the semiconductor/dielectric interface (MoS2 on industrially relevant high dielectric constant (k) HfO2, ZrO2 and hBN for reference) responsible for realizing enhancement-mode operation of 2D MoS2 channel FETs. We find that hBN and ZrO2 dielectric substrates provide low defect interfaces with MoS2 that enables effective modulation of the Vth using gate metals of different work functions (WFs). We use photoluminescence (PL) and synchrotron X-ray photoelectron spectroscopy (XPS) measurements to investigate doping levels in monolayer MoS2 on different dielectrics with different WF gate metals. We complement the FET and spectroscopic measurements with capacitance-voltage analysis on dielectrics with varying thicknesses, which confirm that Vth modulation in ZrO2 devices is correlated with WF of the gate metals - in contrast with HfO2 devices that exhibit signatures of Vth pinning induced by oxide/interface defect states. Finally, we demonstrate FETs using a 2D MoS2 channel and a 6 nm of ZrO2 dielectric, achieving a subthreshold swing of 87 mV dec-1 and a threshold voltage of 0.1 V. Our results offer insights into the role of dielectric/semiconductor interface in 2D MoS2 based FETs for realizing enhancement mode FETs and highlight the potential of ZrO2 as a scalable high-k dielectric.

cond-mat.mtrl-sci↗

arXiv2025

High-efficiency WSe$_2$ photovoltaics enabled by ultra-clean van der Waals contacts

Layered transition metal dichalcogenide semiconductors are interesting for photovoltaics owing to their high solar absorbance and efficient carrier diffusion. Tungsten diselenide (WSe$_2$), in particular, has emerged as a promising solar cell absorber. However, defective metal-semiconductor interfaces have restricted the power conversion efficiency (PCE) to approximately 6%. Here we report WSe$_2$ photovoltaics with a record-high PCE of approximately 11% enabled by ultra-clean indium/gold (In/Au) van der Waals (vdW) contacts. Using grid-patterned top vdW electrodes, we demonstrate near-ideal diodes with a record-high on/off ratio of $1.0\times 10^9$. Open-circuit voltage (VOC) of 571 +/- 9 mV, record-high short-circuit current density (JSC) of 27.19 +/- 0.45 mA cm$^{-2}$ -- approaching the theoretical limit (34.5 mA cm$^{-2}$) -- and fill factor of 69.2 +/- 0.7% resulting in PCE of 10.8 +/- 0.2% under 1-Sun illumination on large active area (approximately 0.13x0.13 mm$^2$) devices have been realised. The excellent device performance is consistent with the high external quantum efficiency (up to approximately 93%) measured across a broad spectral range of 500-830 nm. Our results suggest that ultra-clean vdW contacts on WSe$_2$ enable high-efficiency photovoltaics and form the foundation for further optimisation.

cond-mat.mtrl-sci↗

arXiv2025

Large Scale Manufacture of Phase Pure Two-Dimensional Metallic MoS2 Nanosheets

Metallic monolayered [or two - dimensional (2D)] MoS2 nanosheets show tremendous promise for energy storage and catalysis applications. However, state-of-the-art chemical exfoliation methods require > 48 hours to produce milligrams of metallic 2D MoS2. Further, chemically exfoliated MoS2 nanosheets are a mixture of metallic (1T or 1T prime 50% to 70%) and semiconducting (2H 30% to 50%) phases. Here, we demonstrate large-scale and rapid (>600 grams per hour) production of purely metallic phase 2D MoS2 (and WS2, MoSe2) nanosheets using microwave irradiation. Atomic resolution imaging shows 1T or 1T prime metallic phase in basal plane - consistent with close to 100% metallic phase concentration measured by X-ray photoelectron spectroscopy. The high 1T phase concentration results in the highest exchange current density of 0.175 plus-minus 0.03 mA cm-2 and among the lowest Tafel slopes (39 - 43 mV dec-1) measured to date for the hydrogen evolution reaction. In supercapacitors and lithium-sulfur pouch cell batteries, record-high volumetric capacitance of 753 plus-minus 3.6 F cm-3 and specific capacity of 1245 plus-minus 16 mAh g-1 (at exceptionally low electrolyte to sulfur ratio = 2 microlitre g-1), respectively, are obtained. Our method provides a practical pathway for producing high quality purely metallic phase 2D materials for high performance energy devices.

cond-mat.mtrl-sci↗

arXiv2024

Robust Ptychographic Reconstruction with an Out-of-Focus Electron Probe

As a burgeoning technique, out-of-focus electron ptychography offers the potential for rapidly imaging atomic-scale large fields of view (FoV) using a single diffraction dataset. However, achieving robust out-of-focus ptychographic reconstruction poses a significant challenge due to the inherent scan instabilities of electron microscopes, compounded by the presence of unknown aberrations in the probe-forming lens. In this study, we substantially enhance the robustness of out-of-focus ptychographic reconstruction by extending our previous calibration method (the Fourier method), which was originally developed for the in-focus scenario. This extended Fourier method surpasses existing calibration techniques by providing more reliable and accurate initialization of scan positions and electron probes. Additionally, we comprehensively explore and recommend optimized experimental parameters for robust out-of-focus ptychography, includingaperture size and defocus, through extensive simulations. Lastly, we conduct a comprehensive comparison between ptychographic reconstructions obtained with focused and defocused electron probes, particularly in the context of low-dose and precise phase imaging, utilizing our calibration method as the basis for evaluation.

physics.optics↗

arXiv2022

An Integrated Constrained Gradient Descent (iCGD) Protocol to Correct Scan-Positional Errors for Electron Ptychography with High Accuracy and Precision

Correcting scan-positional errors is critical in achieving electron ptychography with both high resolution and high precision. This is a demanding and challenging task due to the sheer number of parameters that need to be optimized. For atomic-resolution ptychographic reconstructions, we found classical refining methods for scan positions not satisfactory due to the inherent entanglement between the object and scan positions, which can produce systematic errors in the results. Here, we propose a new protocol consisting of a series of constrained gradient descent (CGD) methods to achieve better recovery of scan positions. The central idea of these CGD methods is to utilize a priori knowledge about the nature of STEM experiments and add necessary constraints to isolate different types of scan positional errors during the iterative reconstruction process. Each constraint will be introduced with the help of simulated 4D-STEM datasets with known positional errors. Then the integrated constrained gradient decent (iCGD) protocol will be demonstrated using an experimental 4D-STEM dataset of the 1H-MoS2 monolayer. We will show that the iCGD protocol can effectively address the errors of scan positions across the spectrum and help to achieve electron ptychography with high accuracy and precision.

cond-mat.other↗

arXiv2021

Mode-center Placement of Monolayer WS$_{2}$ in a Photonic Polymer Waveguide

Effective integration of 2D materials such as monolayer transition metal dichalcogenides (TMDs) into photonic waveguides and integrated circuits is being intensely pursued due to the materials' strong exciton-based optical response. Here, we present a platform where a WS$_{2}$-hBN 2D heterostructure is directly integrated into the photonic mode-center of a novel polymer ridge waveguide. FDTD simulations and collection of photoluminescence from the guided mode indicate that this system exhibits significantly improved waveguide-emitter coupling over a previous elastomer platform. This is facilitated by the platform's enhanced refractive-index contrast and a new method for mode-center integration of the coupled TMD. The integration is based on a simple dry-transfer process that is applicable to other 2D materials, and the platform's elastomeric nature is a natural fit to explore strain-tunable hybrid-photonic devices. The demonstrated ability of coupling photoluminescence to a polymer waveguide opens up new possibilities for hybrid-photonic systems in a variety of contexts.

physics.optics↗