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DOE OSTI2020

An outlook into the flat land of 2D materials beyond graphene: synthesis, properties and device applications

Abstract The field of two-dimensional (2D) and layered materials continues to excite many researchers around the world who are eager to advance and innovate viable routes for large scale synthesis, doping and integration of monolayers and the development of unique characterization approaches for studying and harnessing exotic properties that will enable novel device applications. There has been a large interest in 2D materials beyond graphene, with particular emphasis on monoelemental materials (phosphorene, silicene, tellurene, etc. ), 2D compounds (MXenes, oxides, nitrides, carbides and chalcogenides), their alloys and layered van der Waals heterostructures. This is not only indicated by the significant increase in the number of peer reviewed publications each year in this area of research, but also by the surging number of conference sessions focusing on 2D materials beyond graphene. This Perspective article highlights some of the recent advances in the field from a diverse international community of theoretical and experimental researchers who participated in the symposium ‘Beyond Graphene 2D Materials—Synthesis, Properties and Device Applications’ at the Materials Research Society (MRS) Fall 2019 meeting.

McCreary, Amber (ORCID:0000000299885800)↗

DOE OSTI2026

Roadmap on advanced and / real-time characterisation of solid state materials and devices for energy applications

A strong societal and political drive is motivating the development and optimization of novel energy conversion and storage systems for decarbonization. The successful implementation of solid state devices such as fuel cells and secondary batteries depends, however, on achieving ambitious targets in terms of performance, reliability and cost competitiveness. Research and technology are addressing these needs through a holistic approach including exploration of new materials and nanoarchitectures, as well as system engineering. These significant efforts require the support of appropriate characterization tools capable of assessing nanometer-scale phenomena such as concentration profiles of ionic and electronic charges, local chemical compositions and their evolution over time across interfaces. This roadmap provides an overview of selected advanced characterization techniques for energy materials and devices. Specific focus is put on in situ/operando methods for probing electrochemical phenomena in real-time under realistic working conditions. Experts in the field provide an extensive review of the current state of the art in 2025 and the current and future challenges for the characterization of local chemistry and kinetics in the bulk of the material, in nanoarchitectures (e.g. thin films) and at the interfaces (e.g. grain boundaries, phase contacts, solid/liquid and solid/gas interfaces) . The aim is to provide a detailed guide to the techniques, describing opportunities and bottlenecks for their practical deployment and examples of successful applications.

25 ENERGY STORAGE↗

DOE OSTI2023

Determining Stress in Metallic Conducting Layers of Microelectronics Devices Using High Resolution Electron Backscatter Diffraction and Finite Element Analysis

Delayed failure due to stress voiding is a concern with some aging microelectronics, as these voids can grow large enough to cause an open circuit. Local measurements of stress in the metallic layers are crucial to understanding and predicting this failure, but such measurements are complicated by the fact that exposing the aluminum conducting lines will relieve most of their stress. In this study, we instead mechanically thin the device substrate and measure distortions on the thinned surface using high resolution electron backscatter diffraction (HREBSD). These measurements are then related to the stresses in the metallic layers through elastic simulations. This study found that in legacy components that had no obvious voids, the stresses were comparable to the theoretical stresses at the time of manufacture (≈300 MPa). Distortion fields in the substrate were also determined around known voids, which may be directly compared to stress voiding models. In conclusion, the technique presented here for stress determination, HREBSD coupled with finite element analysis to infer subsurface stresses, is a valuable tool for assessing failure in layered microelectronics devices.

HREBSD↗

DOE OSTI2021

Towards quantum simulations in particle physics and beyond on noisy intermediate-scale quantum devices

We review two algorithmic advances that bring us closer to reliable quantum simulations of model systems in high-energy physics and beyond on noisy intermediate-scale quantum (NISQ) devices. The first method is the dimensional expressivity analysis of quantum circuits, which allows for constructing minimal but maximally expressive quantum circuits. The second method is an efficient mitigation of readout errors on quantum devices. Both methods can lead to significant improvements in quantum simulations, e.g. when variational quantum eigensolvers are used. This article is part of the theme issue ‘Quantum technologies in particle physics’.

Science & Technology - Other Topics↗

DOE OSTI2020

Using Fourier-Plane Imaging Microscopy for Determining Transition-Dipole-Moment Orientations in Organic Light-Emitting Devices

Here, we use Fourier-plane imaging microscopy (FIM) to determine the transition-dipole-moment orientation in doped organic emissive thin films. The use of FIM enables precise, sensitive, and rapid measurement of dipole orientation in the emission layer of an organic light-emitting device (OLED). An optical model of a stratified birefringent multilayer is introduced for interpreting results obtained by FIM. Using the model, we determine the average orientation of transition-dipole-moment vectors of three phosphorescent dopant emitters. The dipole alignment measured by FIM quantitatively explains the difference in OLED efficiencies using these archetype dopant molecules. FIM provides a nondestructive tool to measure and ultimately improve the outcoupling efficiency of OLEDs and other light-emitting devices.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Vector Electrometry in a Wide-Gap-Semiconductor Device Using a Spin-Ensemble Quantum Sensor

Nitrogen-vacancy (N-V) centers in diamond work as a quantum electrometer. Using an ensemble state of N-V centers, we propose vector electrometry and demonstrate measurements in a diamond electronic device. A transverse electric field applied to the N-V axis under a high voltage is measured, while applying a transverse magnetic field. The response of the energy-level shift against the electric field is significantly enhanced compared with that against an axial magnetic field. Repeating the measurement of the transverse electric field for multiple N-V axes, our team obtains the components of the electric field generated in the device.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Skyrmion-Based Programmable Logic Device with Complete Boolean Logic Functions

A skyrmionic programmable logic device (SkrPLD) with complete Boolean logic functions is proposed and analyzed by micromagnetic simulations. The SkrPLD is based on an antiferromagnet/ferromagnet bilayer structure, in which the antiferromagnetic layer supports the interfacial Dzyaloshinskii–Moriya interaction and the out-of-plane exchange bias field for stabilizing a zero-field skyrmion. By varying the local exchange bias field, artificial pinning sites are introduced for trapping the skyrmions. Depending on the input currents and the initial position of skyrmions at different pinning sites, different logic functions can be realized. Micromagnetic simulations show that the proposed SkrPLD has robust performance even under thermal fluctuations and inhomogeneity effects. Our work can provide insights for the design of programmable spin logic devices.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Dual-sided charge-coupled devices

Existing charge-coupled devices (CCDs) operate by detecting either the electrons or holes created in an ionization event. Here, we propose an imager, the dual-sided CCD, which collects and measures both charge carriers on opposite sides of the device via a dual-buried channel architecture. We show that this dual detection strategy provides exceptional dark-count rejection and enhanced timing capabilities. These advancements have wide-ranging implications for dark-matter searches, near-infrared/optical spectroscopy, and time-domain x-ray astrophysics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Electron-electron interactions and weak antilocalization in few-layer ZrTe 5 devices

Recently, a lot of efforts have been devoted to the transport properties of relatively thick ZrTe 5 crystals, focusing on their three-dimensional topological effects. ZrTe 5 in its 2D limit, on the other hand, was much less explored experimentally. Here we present detailed magnetotransport studies of few-layer ZrTe 5 devices, in which the coexistence of strong electron-electron interaction and weak anti-localization is observed. The coexistence of the two effects manifests itself in the temperature and magnetic field dependence of the resistance as well as in the universal conductance fluctuations of the few-layer devices. Both effects also show strong two dimensional characteristics. Finally, our results provide new insight into the highly intricate properties of topological material ZrTe 5 .

2-dimensional systems↗

DOE OSTI2023

Probing single electron scattering through a non-Fermi-liquid charge-Kondo device

Among the exotic and yet unobserved features of multichannel Kondo impurity models is their subunitary single electron scattering. In the two-channel Kondo model, for example, an incoming electron is fully scattered into a many-body excitation such that the single particle Green's function vanishes. Here, we propose to directly observe these features in a charge-Kondo device encapsulated in a Mach-Zehnder interferometer, within a device already studied by Duprez et al. [Science 366, 1243 (2019)]. Finally, we provide detailed predictions for the visibility and phase of the Aharonov-Bohm oscillations depending on the number of coupled channels and the asymmetry of their couplings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Current-induced switching of thin film α - Fe 2 O 3 devices imaged using a scanning single-spin microscope

Electrical switching of Néel order in an antiferromagnetic insulator is desirable as a basis for memory applications. Unlike electrically driven switching of ferromagnetic order via spin-orbit torques, electrical switching of antiferromagnetic order remains poorly understood. Here we investigate the low-field magnetic properties of 30-nm-thick, c-axis-oriented α-Fe 2 ⁢O 3 Hall devices using a diamond nitrogen-vacancy center scanning microscope. Using the canted moment of α-Fe 2⁢ O 3 as a magnetic handle on its Néel vector, we apply a saturating in-plane magnetic field to create a known initial state before letting the state relax in low field for magnetic imaging. Here, we repeat this procedure for different in-plane orientations of the initialization field. We find that the magnetic field images are characterized by stronger magnetic textures for fields along [$\overline{11}$20] and 11$\overline{2}$0, suggesting that despite the expected 3-fold magnetocrystalline anisotropy, our α-Fe 2 ⁢O 3 thin films have an overall in-plane uniaxial anisotropy. We also study current-induced switching of the magnetic order in α-Fe 2 ⁢O 3 . We find that the fraction of the device that switches depends on the current pulse duration, amplitude, and direction relative to the initialization field.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Laser-Induced Spectral Diffusion of T Centers in Silicon Nanophotonic Devices

Color centers in silicon are emerging as spin-photon interfaces operating at telecommunication wavelengths. The nanophotonic device integration of silicon color centers via ion implantation leads to significant optical-linewidth broadening, which makes indistinguishable photon generation challenging. Here, we study the optical spectral diffusion of T centers in a silicon photonic crystal cavity. We investigate the linewidth-broadening timescales and origins by measuring the temporal correlations of the resonance frequency under different conditions. Spectral hole-burning measurements reveal no spectral broadening at short timescales from 102 ns to 725 ns. We probe broadening at longer timescales using a check pulse to herald the T-center frequency and a probe pulse to measure the frequency after a wait time. The optical resonance frequency is stable up to 3 ms in the dark. Laser pulses below the silicon band gap applied during the wait time lead to linewidth broadening. Our observations establish laser-induced processes as the dominant spectral-diffusion mechanism for T centers in devices and inform materials and feedback strategies for indistinguishable photon generation.

Zhang, Xueyue↗

DOE OSTI2021

A capillary-based microfluidic device enables primary high-throughput room-temperature crystallographic screening

A novel capillary-based microfluidic strategy to accelerate the process of small-molecule-compound screening by room-temperature X-ray crystallography using protein crystals is reported. The ultra-thin microfluidic devices are composed of a UV-curable polymer, patterned by cleanroom photolithography, and have nine capillary channels per chip. The chip was designed for ease of sample manipulation, sample stability and minimal X-ray background. 3D-printed frames and cassettes conforming to SBS standards are used to house the capillary chips, providing additional mechanical stability and compatibility with automated liquid- and sample-handling robotics. These devices enable an innovative in situ crystal-soaking screening workflow, akin to high-throughput compound screening, such that quantitative electron density maps sufficient to determine weak binding events are efficiently obtained. This work paves the way for adopting a room-temperature microfluidics-based sample delivery method at synchrotron sources to facilitate high-throughput protein-crystallography-based screening of compounds at high concentration with the aim of discovering novel binding events in an automated manner.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Improving Predictions Under Uncertainty of Material Plasma Device Operations

Understanding the properties of materials when exposed to various plasma temperatures and fluxes is essential to the building and operating of fusion reactors. The Material Plasma Exposure eXperiment (MPEX) is an instrument currently being developed by the Department of Energy (DOE) for this purpose. MPEX is expected to come online in stages over the next five years. Proto-MPEX, the predecessor to MPEX, operated from 2014 to 2021, and was designed to understand the generation of plasma temperatures and fluxes at orders of magnitude below what will be obtained by MPEX. This work uses the recently developed stochastic neural network (SNN), a machine learning technique capable of operating under uncertainty to provide a surrogate model for the Proto-MPEX device. We demonstrate that SNN outperforms Bayesian neural network (BNN), a standard in the field of machine learning with uncertainty. The development of a robust surrogate of the Proto-MPEX will aid in the commissioning and operation of the MPEX device.

Archibald, Rick↗

DOE OSTI2020

Investigation of Dynamic Temperature-Sensitive Electrical Parameters for Medium-Voltage Low-Current Silicon Carbide and Silicon Devices

This paper presents five dynamic temperature-sensitive electrical parameters (TSEPs) for the medium-voltage silicon carbide (SiC) and silicon (Si) devices. The theoretical temperature dependence of these parameters is analyzed. A test platform that enables to implement the temperature relevant dynamic characterization is developed. The tested TSEPs are summarized in terms of their relationship with junction temperature, drain/collector current, DC voltage, and external gate resistance. The comparison between the 3 kV 12 A Si IGBT and 3.3 kV 5 A SiC MOSFET with the identical TO-263 package is conducted. The results verify that the turn-off drain-source voltage switching rate achieves better thermal sensitivity for medium-voltage low-current SiC MOSFETs compared with Si IGBTs. Both the turn-on and turn-off delay time exhibit better thermal linearity for the two devices. The turn-off delay time further achieves five times better thermal sensitivity than the turn-on delay time for investigated medium-voltage SiC MOSFETs.

Ni, Ze↗

DOE OSTI2023

Improving EV Charging Resilience under a Device Fault Condition

This paper presents a multi-layer control framework that can improve resilience of an electric vehicle (EV) charging system when a device fault occurs in an EV charger power converter. The multi-layer framework built in a hierarchical structure allows fast protection and device fault ride through (DFRT), active status monitoring, and control optimization to improve the charging resilience. The feasibility and the effectiveness of the DFRT response and the control optimization are verified through controller hardware-in-the-loop demonstration.

Kim, Namwon↗

DOE OSTI2024

Privacy-Preserving Artificial Intelligence on Edge Devices: A Homomorphic Encryption Approach

Recent advancements in privacy-preserving artificial intelligence (AI) have paved the way for enhanced privacy in computational processes. A standing challenge, however, is the robust privacy preservation in AI algorithms, especially when integrated into edge devices and Internet-of-Thing (IoT) infrastructures. Most prevailing solutions have adopted traditional encryption methods which, though secure, often introduce significant overhead and potential dips in accuracy. In this study, we put forth an innovative approach, utilizing the CKKS encryption scheme, aiming to harmoniously balance computational efficiency with stringent data privacy. By harnessing the capabilities of Full Homomorphic Encryption (FHE) under the CKKS scheme, we ensure the preservation of privacy, successfully curbing the inherent noise traditionally linked with accuracy reductions in similar encryption-oriented solutions. Through comprehensive experiments, our approach showcased its potential as a strong contender for privacy preservation, demonstrating commendable performance across all tests, affirming that FHE is indeed viable for devices with constrained computational power and energy resources.

Khan, Muhammad Jahanzeb↗

DOE OSTI2021

A High-Efficiency Isolated PFC AC-DC Topology with Reduced Number of Semiconductor Devices

A new three-level isolated ac-dc power factor correction (PFC) topology with a minimum number of semiconductor devices is the focus of this paper. This topology provides a high input power factor (PF), soft-switching, and higher efficiency than existing isolated ac-dc converters. Furthermore, the proposed circuit has lower voltage rating requirements for the secondary side devices, which leads to a lower total cost and minimizes total converter losses. This article presents a theoretical analysis describing the complete characterization of this new topology, and experimental results on a 1-kW prototype showing high PF and efficiency throughout the operating range.

42 ENGINEERING↗