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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Policy and Regulatory Environment for Utility-Scale Energy Storage: Bangladesh

Bangladesh has experienced significant economic growth and poverty reduction over the past several decades. Recognizing the central role electricity plays in economic development, the Government of Bangladesh (GOB) has established policies to accelerate the growth of the electric power sector. The Bangladesh power grid is transforming into one marked by declining reliance on domestic natural gas reserves and oil-based rental power plants, increasing renewable energy contribution, and shifting demand patterns. The GOB is now reconsidering its prior plans to increase the share of coal capacity in the generation mix to meet demand, shifting its focus instead to electricity imports from neighboring countries, nuclear generation, liquified natural gas imports, and domestic renewable resources such as wind and solar. However, investments in the transmission and distribution system, as well as ancillary services, have not kept pace with investments in generation resources over the past decade. Thus, Bangladesh electricity consumers still experience outages and poor power quality despite adequate installed capacity. On the demand side, population growth and industrialization have fueled steady growth in electricity consumption as efforts to expand access to electricity enabled near-universal electricity access by mid-2020. The combined changes in the mix of generation resources and patterns of electricity demand present new challenges and opportunities in operating and maintaining a reliable power system. Energy storage has the potential to help meet these challenges and accelerate Bangladesh’s energy transition. Declining costs for some energy storage technologies make them increasingly cost-effective solutions to provide a wide range of grid services. Previous analyses of energy storage in the region have identified several potential applications for storage at the bulk system level, including energy arbitrage, ancillary services, and transmission network support. The potential for storage to meet these needs depends on many factors, including physical characteristics of the power system and the policy and regulatory environments in which these energy storage assets would operate. This report applies an Energy Storage Readiness Assessment the National Renewable Energy Laboratory developed for policy makers and regulators to identify priority areas of focus as they continue to develop the appropriate suite of policies, programs, and regulations to enable storage deployment. This assessment uses a simple evaluation scheme to identify the barriers and opportunities for utility-scale energy storage within Bangladesh’s policy and regulatory environment.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Analysis to Inform CA Grid Integration Rules for PV: Final Report on Inverter Settings for Transmission and Distribution System Performance

The fourth solicitation of the California Solar Initiative (CSI) Research, Development, Demonstration and Deployment (RD&D) Program established by the California Public Utilities Commission (CPUC) supported the Electric Power Research Institute (EPRI), National Renewable Energy Laboratory (NREL), and Sandia National Laboratories (SNL) with data provided from Pacific Gas and Electric (PG&E), Southern California Edison (SCE), and San Diego Gas and Electric (SDG&E) conducted research to determine optimal default settings for distributed energy resource advanced inverter controls. The inverter functions studied are aligned with those developed by the California Smart Inverter Working Group (SIWG) and those being considered by the IEEE 1547 Working Group. The advanced inverter controls examined to improve the distribution system response included power factor, volt-var, and volt-watt. The advanced inverter controls examined to improve the transmission system response included frequency and voltage ride-through as well as Dynamic Voltage Support. This CSI RD&D project accomplished the task of developing methods to derive distribution focused advanced inverter control settings, selecting a diverse set of feeders to evaluate the methods through detailed analysis, and evaluating the effectiveness of each method developed. Inverter settings focused on the transmission system performance were also evaluated and verified. Based on the findings of this work, the suggested advanced inverter settings and methods to determine settings can be used to improve the accommodation of distributed energy resources (PV specifically). The voltage impact from PV can be mitigated using power factor, volt-var, or volt-watt control, while the bulk system impact can be improved with frequency/voltage ride-through.

14 SOLAR ENERGY↗
DOE OSTI2020

Controllers for Distributed Grid Support for Power Systems using Hybrid DER plants with Electrolyzers [SWR-20-06]

This software presents the design and control for a hybrid DER site with integrated dispatchable electrolyzers. It is a comprehensive solution for regulating the dispatch of electrolyzer demand to support the grid using the respective control functions. Multiple control functions (ramp control, frequency support control, dispatch prioritization) are developed to integrate the proposed site for multiple services around load, voltage and frequency control. This allows the site owners to participate in both distribution and bulk system energy markets for grid ancillary services.

Jain, Rishabh↗
DOE OSTI2014

Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion

In this work, an extension is proposed to the standard iterative Boltzmann inversion (IBI) method used to derive coarse-grained potentials. It is shown that the inclusion of target data from multiple states yields a less state-dependent potential, and is thus better suited to simulate systems over a range of thermodynamic states than the standard IBI method. The inclusion of target data from multiple states forces the algorithm to sample regions of potential phase space that match the radial distribution function at multiple state points, thus producing a derived potential that is more representative of the underlying interactions. It is shown that the algorithm is able to converge to the true potential for a system where the underlying potential is known. It is also shown that potentials derived via the proposed method better predict the behavior of n-alkane chains than those derived via the standard IBI method. Additionally, through the examination of alkane monolayers, it is shown that the relative weight given to each state in the fitting procedure can impact bulk system properties, allowing the potentials to be further tuned in order to match the properties of reference atomistic and/or experimental systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Grid Value Proposition of Marine Energy

Marine energy technologies convert the energy of ocean waves, and tidal, river, and ocean currents into electricity and other forms of usable energy. The marine energy resource potential in the United States is significant and geographically diverse, with a study commissioned by the U.S. Department of Energy estimating that the nation’s annual marine energy potential is approximately 2,300 TWh/year across the 50 states, or greater than 57 percent of U.S. electricity generation in 2019. However, the marine energy industry still faces hurdles to commercialization. While high costs relative to wind and solar remain a key challenge, other hurdles relate to marine energy’s value streams not being well characterized and not captured by traditional energy comparison metrics like the levelized cost of energy. To address this challenge, this project undertakes several types of analyses to identify and illustrate value propositions for marine energy resources. It provides a fresh framework for considering electric system benefits based on unique marine energy attributes, and provides analyses illustrating and quantifying those benefits. The authors find many opportunities for the deployment of marine energy technologies both in the near term and within typical utility planning timeframes (i.e. up to 20 years). From a resource and technology perspective, marine energy resources can deliver distinct and valuable benefits to different configurations of the grid, whether the bulk system, isolated distribution systems, or remote communities, islands, and microgrids. Marine energy resources can be valuable in increasing technology diversity in a generation portfolio, providing energy where it is otherwise difficult to come by, supporting local resiliency, complementing and being complemented by other resources including solar, wind, and energy storage, and avoiding land constraints.

16 TIDAL AND WAVE POWER↗
DOE OSTI2018

Evaluation of Multi-Inverter Anti-Islanding with Grid Support and Ride-Through and Investigation of Island Detection Alternatives

As utility interconnected photovoltaic systems (PV) become integrated into the electrical power system (EPS) at an increasing rate, utilities and regulators have become concerned about the potential for increased voltage and frequency deviations as well as EPS reliability and resiliency. These concerns have initiated the need to amend the utility interconnection standard to allow advanced inverter control functionalities that provide: (1) reactive power control for voltage support, (2) real (active) power control for frequency support and (3) voltage and frequency ride- through for bulk system support. The new real and reactive power modulation are intended to reduce EPS voltage and frequency deviations by mimicking the droop and excitation controls of conventional generation. The new ride-through capabilities are needed to prevent a large quantity of generation from autonomously de-energizing or disconnecting in response to a voltage or frequency deviation. These changes, however, may have the potential to interfere with autonomous anti-islanding, especially when multiple inverters from different vendors are co-located on one bus. This report presents results from an investigation of multi-inverter autonomous anti- islanding with advanced functions, and the development of a means to mitigate adverse interaction between the two.

14 SOLAR ENERGY↗
DOE OSTI2022

Rapid and efficient hydrogen clathrate hydrate formation in confined nanospace

Clathrate hydrates are crystalline solids characterized by their ability to accommodate large quantities of guest molecules. Although CH 4 and CO 2 are the traditional guests found in natural systems, incorporating smaller molecules (e.g., H 2 ) is challenging due to the need to apply higher pressures to stabilize the hydrogen-bonded network. Another critical limitation of hydrates is the slow nucleation and growth kinetics. Here, we show that specially designed activated carbon materials can surpass these obstacles by acting as nanoreactors promoting the nucleation and growth of H 2 hydrates. The confinement effects in the inner cavities promote the massive growth of hydrogen hydrates at moderate temperatures, using pure water, with extremely fast kinetics and much lower pressures than the bulk system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Spin-wave multiple excitations in nanoscale classical Heisenberg antiferromagnets

Monte Carlo and spin dynamics techniques have been used to perform large-scale simulations of the dynamic behavior of a nanoscale, classical, Heisenberg antiferromagnet on a simple-cubic lattice with linear sizes L≤ 40 at a temperature below the Neel temperature. In this study, nanoparticles are modeled with completely free boundary conditions, i.e., six free surfaces, and nanofilms are modeled with two free surfaces in the spatial z direction and periodic boundaries parallel to the surfaces in the xy direction, which are compared to the infinite system with periodic boundary conditions. The temporal evolutions of spin configurations were determined numerically from coupled equations of motion for individual spins using a fast spin dynamics algorithm with the fourth-order Suzuki-Trotter decomposition of exponential operators, with initial spin configurations generated by Monte Carlo simulations. The local dynamic structure factor S(q,ω) was calculated from the local space- and time-displaced spin-spin correlation function. Multiple excitation peaks for wave vectors within the first Brillouin zone appear in the spin-wave spectra of the transverse component of dynamic structure factor S T (q,ω) in the nanoscale classical Heisenberg antiferromagnet, which are lacking if periodic boundary conditions are used. With the assumption of q-space spin-wave reflections with broken momentum conservation due to free-surface confinements, we successfully explained those spectra quantitatively in the linear dispersion region. Meanwhile, we also observed two unexpected quantized spin-wave excitation modes in the spatial z direction in nanofilms for S T (q,ω) not expected in bulk systems. In conclusion, the results of this study indicate the presence of unexpected forms of spin-wave excitation behavior that have yet to be observed experimentally but could be directly tested through neutron scattering experiments on nanoscale RbMnF 3 particles or films.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Unified analysis of finite-size error for periodic Hartree-Fock and second order Møller-Plesset perturbation theory

Despite decades of practice, finite-size errors in many widely used electronic structure theories for periodic systems remain poorly understood. For periodic systems using a general Monkhorst-Pack grid, there has been no comprehensive and rigorous analysis of the finite-size error in the Hartree-Fock theory (HF) and the second order Møller-Plesset perturbation theory (MP2), which are the simplest wavefunction based method, and the simplest post-Hartree-Fock method, respectively. Such calculations can be viewed as a multi-dimensional integral discretized with certain trapezoidal rules. Due to the Coulomb singularity, the integrand has many points of discontinuity in general, and standard error analysis based on the Euler-Maclaurin formula gives overly pessimistic results. The lack of analytic understanding of finite-size errors also impedes the development of effective finite-size correction schemes. We propose a unified analysis to obtain sharp convergence rates of finite-size errors for the periodic HF and MP2 theories. Our main technical advancement is a generalization of the result of Lyness [Math. Comp. 30 (1976), pp. 1–23] for obtaining sharp convergence rates of the trapezoidal rule for a class of non-smooth integrands. Our result is applicable to three-dimensional bulk systems as well as low dimensional systems (such as nanowires and 2D materials). Our unified analysis also allows us to prove the effectiveness of the Madelung-constant correction to the Fock exchange energy, and the effectiveness of a recently proposed staggered mesh method for periodic MP2 calculations (see X. Xing, X. Li, and L. Lin [J. Chem. Theory Comput. 17 (2021), pp. 4733–4745]). In conclusion, our analysis connects the effectiveness of the staggered mesh method with integrands with removable singularities, and suggests a new staggered mesh method for reducing finite-size errors of periodic HF calculations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Bridging adsorption behavior of confined CH 4 -CO 2 binary mixtures across scales

An accurate understanding of the competitive adsorption of CH 4 -CO 2 binary mixtures in nano-confined systems is critical for engineering CO 2 storage in shale gas reservoirs. Due to difficulties in making reliable experimental observations in nano-scale, atomistic simulations (ASs), such as the Grand Canonical Monte Carlo (GCMC) method, provide a viable approach to studying the adsorption behavior of confined fluids. ASs are, however, limited in the size of the compositional domain due to the high computational cost. This work proposes a framework that combines AS and the lattice Boltzmann (LB) method to bridge the physics of confined fluids across scales. The Peng–Robinson equation of state (PR-EoS) produces fugacity coefficients, which serve as input for conducting multi-component GCMC simulations. These GCMC simulations explore the competitive adsorption behavior of CH 4 -CO 2 in nano-slits at various composition, pressure, and channel-width conditions. Both components generate adsorption layers with high densities near the walls with CO 2 preferentially adsorbing compared to CH 4 on the organic walls of carbon sheets. At the mesoscale, a pseudopotential model represents the intermolecular forces in multi-component, multiple-relaxation-time LB simulations. The LB simulations are in good agreement with the GCMC results, allowing us to obtain values for tunable LB parameters. We then extend the use of LB to simulate adsorption behavior in complex networks with nano-sized channels. The phase behavior and fluid properties in the complex geometries of nano-channels differ from nano-slits and bulk systems. Furthermore, the bridging of physics from GCMC (microscale) to LB (mesoscale) via the macroscale PR-EoS connects the adsorption behavior of binary systems across scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Raman Scattering Study of Lattice Vibrations in the Type-II Superlattice InAs / InAs 1 - x Sb x

The InAs/InAs 1-x Sb x superlattice system distinctly differs from two well-studied superlattice systems GaAs/AlAs and InAs/GaSb in terms of electronic band alignment, common elements at the interface, and phonon spectrum overlapping of the constituents. This fact leads to the unique electronic and vibrational properties of the InAs/InAs 1-x Sb x system when compared to the other two systems. Here in this work, we report a polarized Raman study of the vibrational properties of the InAs/InAs 1-x Sb x superlattices (SLs) as well as selected InAs 1-x Sb x alloys, all grown on GaSb substrates by either MBE or metalorganic chemical vapor deposition (MOCVD) from both the growth surface and cleaved edge. In the SL, from the (001) backscattering geometry, an InAs-like longitudinal optical (LO) mode is observed as the primary feature, and its intensity is found to increase with increasing Sb composition. From the (110) cleaved-edge backscattering geometry, an InAs-like transverse optical (TO) mode is observed as the main feature in two cross-polarization configurations, but an additional InAs-like “forbidden” LO mode is observed in two parallel-polarization configurations. The InAs 1-x Sb x alloys lattice matched to the substrate ( x Sb ~ 0.09) grown by MBE are also found to exhibit the forbidden LO mode, implying the existence of some unexpected [001] modulation. However, the strained samples (x Sb ~ 0.35) grown by MOCVD are found to behave like a disordered alloy. The primary conclusions are (1) the InAs-like LO or TO mode can be either a confined or quasiconfined mode in the InAs layers of the SL or extended mode of the whole structure depending on the Sb composition. (2) InAs/InAs 1-x Sb x and InAs/GaSb SLs exhibit significantly different behaviors in the cleaved-edge geometry but qualitatively similar in the (001) geometry. (3) The appearance of the forbidden LO-like mode is a universal signature for SLs and bulk systems resulting from the mixing of phonon modes due to structural modulation or symmetry reduction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Third-Party Aggregation Rulemaking in MISO and SPP Footprints

The report highlights key considerations for retail regulators in the footprints of the Southwest Power Pool (SPP) or Midcontinent Independent System Operator (MISO) in states that previously opted out of allowing third-party aggregation participation under FERC Order 719 and that may want to explore reversing the decision due to a changing policy environment under new FERC orders (i.e., 2222) and/or tightening resource adequacy constraints. Through a document review and a series of 27 interviews with regulators, aggregators, and other industry professionals, this document provides a high-level policy overview of the retail regulator’s role in a selection of processes, rules, and regulations to better understand how states have treated and/or integrated aggregators into wholesale markets. The report summarizes findings in two sections: General Findings and Specific Policy Findings. The General Findings offer high level takeaways such as the fact that 17 of the 20 states in MISO and SPP footprints opted out of third party aggregations following Order 719. Additionally, there is only one state that is fully restructured in the MISO and SPP footprints whereas the rest are vertically integrated, and the majority of third-party aggregations in the U.S. take place in restructured states outside of these footprints. Even so, third-party aggregations do take place in MISO and SPP albeit in small numbers and in an ad hoc regulatory environment. The specific policy findings delve deeper into specific examples of state actions on the topics of jurisdiction, registration and licensing, data governance, dual participation, and dispute resolution. Tables in each category organize state actions into Tiers I-III, which roughly correspond to the possible level of involvement or possible change necessary by state regulators and/or legislators to implement these actions. The tier level does not indicate any value judgement, as each state has respective regulatory limitations and each decision comes with various tradeoffs. One main tradeoff is between simplicity and quick implementation versus comprehensive and prolonged implementation. In many cases, actions in Tier I could be implemented without significant changes by relying on the use of existing processes for an aggregator context. On the other hand, many actions in Tier III are more narrowly designed to address aggregators specifically, but often require more significant changes including the involvement of additional parties through stakeholder engagement or legislative action. In some cases, these tiers are discrete. However, state regulators may also choose to progress through these various tiers sequentially as they phase in aggregators while learning from their experience. With the ability to stack bulk system level services, distributed energy resource aggregations in MISO and SPP could provide various private benefits (e.g., increased value streams to the owner) as well as societally beneficial grid services (e.g., peaking capacity, ancillary services, and other services that increase the grid’s overall operational efficiency). In deciding how to best to enable these benefits, states and retail regulators must weigh various tradeoffs if considering reversing a previous opt out.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Zr‐Porphyrin Metal–Organic Framework as nanoreactor for boosting the formation of hydrogen clathrates

Abstract We report the first experimental evidence for rapid formation of hydrogen clathrates under mild pressure and temperature conditions within the cavities of a zirconium‐metalloporphyrin framework, specifically PCN‐222. PCN‐222 has been selected for its 1D mesoporous channels, high water‐stability, and proper hydrophilic behavior. Firstly, we optimize a microwave (MW)‐assisted method for the synthesis of nanosized PCN‐222 particles with precise structure control (exceptional homogeneity in morphology and crystalline phase purity), taking advantage of MW in terms of rapid/homogeneous heating, time and energy savings, as well as potential scalability of the synthetic method. Second, we explore the relevance of the large mesoporous 1D open channels within the PCN‐222 to promote the nucleation and growth of confined hydrogen clathrates. Experimental results show that PCN‐222 drives the nucleation process at a lower pressure than the bulk system (1.35 kbar vs 2 kbar), with fast kinetics (minutes), using pure water, and with a nearly complete water‐to‐hydrate conversion. Unfortunately, PCN‐222 cannot withstand these high pressures, which lead to a significant alteration of the mesoporous structure while the microporous network remains mainly unchanged.

Carrillo‐Carrión, Carolina↗
DOE OSTI2024

Zr‐Porphyrin Metal–Organic Framework as nanoreactor for boosting the formation of hydrogen clathrates

Abstract We report the first experimental evidence for rapid formation of hydrogen clathrates under mild pressure and temperature conditions within the cavities of a zirconium‐metalloporphyrin framework, specifically PCN‐222. PCN‐222 has been selected for its 1D mesoporous channels, high water‐stability, and proper hydrophilic behavior. Firstly, we optimize a microwave (MW)‐assisted method for the synthesis of nanosized PCN‐222 particles with precise structure control (exceptional homogeneity in morphology and crystalline phase purity), taking advantage of MW in terms of rapid/homogeneous heating, time and energy savings, as well as potential scalability of the synthetic method. Second, we explore the relevance of the large mesoporous 1D open channels within the PCN‐222 to promote the nucleation and growth of confined hydrogen clathrates. Experimental results show that PCN‐222 drives the nucleation process at a lower pressure than the bulk system (1.35 kbar vs 2 kbar), with fast kinetics (minutes), using pure water, and with a nearly complete water‐to‐hydrate conversion. Unfortunately, PCN‐222 cannot withstand these high pressures, which lead to a significant alteration of the mesoporous structure while the microporous network remains mainly unchanged.

Carrillo‐Carrión, Carolina↗
DOE OSTI2024

Improving the reliability of machine learned potentials for modeling inhomogeneous liquids

The atomic-scale response of inhomogeneous fluids at interfaces and surrounding solute particles plays a critical role in governing chemical, electrochemical, and biological processes. Classical molecular dynamics simulations have been applied extensively to simulate the response of fluids to inhomogeneities directly, but are limited by the accuracy of the underlying interatomic potentials. Here, we use neural network potentials (NNPs) trained to ab initio simulations to accurately predict the inhomogeneous responses of two distinct fluids: liquid water and molten NaCl. Although NNPs can be readily trained to model complex bulk systems across a range of state points, we show that to appropriately model a fluid's response at an interface, relevant inhomogeneous configurations must be included in the training data. In order to sufficiently sample appropriate configurations of such inhomogeneous fluids, we develop protocols based on molecular dynamics simulations in the presence of external potentials. We demonstrate that NNPs trained on inhomogeneous fluid configurations can more accurately predict several key properties of fluids—including the density response, surface tension and size-dependent cavitation free energies—for liquid water and molten NaCl, compared to both empirical interatomic potentials and NNPs that are not trained on such inhomogeneous configurations. This work therefore provides a first demonstration and framework to extract the response of inhomogeneous fluids from first principles for classical density-functional treatment of fluids free from empirical potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Celestial Topology, Symmetry Theories, and Evidence for a NonSUSY D3‐Brane CFT

Symmetry Theories (SymThs) provide a flexible framework for analyzing the global categorical symmetries of a D -dimensional QFT D in terms of a (D + 1)-dimensional bulk system SymTh D+1 . In QFTs realized via local string backgrounds, these SymThs naturally arise from dimensional reduction of the linking boundary geometry. To track possible time dependent effects we introduce a celestial generalization of the standard “boundary at infinity” of a SymTh. As an application of these considerations we revisit large N quiver gauge theories realized by spacetime filling D3-branes probing a non-supersymmetric orbifold $\mathbb{R}$ 6 /Γ. Comparing the imprint of symmetry breaking on the celestial geometry at small and large ‘t Hooft coupling we find evidence for an intermediate symmetry preserving conformal fixed point.

conformal field theory↗
DOE OSTI2022

Generalized thermo-mechanical framework for heterogeneous materials through asymptotic homogenization

Abstract A fundamental understanding of the interaction between microstructure and underlying physical mechanisms is essential, especially for developing more accurate multi-physics models for heterogeneous materials. Effects of microstructure on the material response at the macroscale are modeled by using the generalized thermomechanics. In this study, strain gradient theory is employed as a higher-order theory on the macroscale with thermodynamics modeled as a first-order theory on the microscale. Hence, energy depends only on the temperature such that we circumvent an extension of Fourier’s law and analyze the “simplest” thermo-mechanical model in strain gradient elasticity. Developing multiphysics models for heterogeneous materials is indeed a challenge and even this “simplest” model in generalized thermomechanics creates dozens of parameters to be determined. We develop a thermo-mechanical framework, in which microstructure is modeled as a periodic structure and through asymptotic homogenization approach, higher-order parameters at macroscopic scale are calculated. To illustrate the importance of higher-order parameters in overall thermo-mechanical response of a heterogeneous materials, finite element method (FEM) is employed with the aid of open-source codes (FEniCS). Verification example of a bulk system and several case studies of porous structures demonstrate how such numerical framework can be beneficial in the design of materials with tailored microstructures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Quantum size effects and tunable visible photoluminescence in a-Si:H/nc-Si:H superlattices

Quantum size effects are commonly observed in semiconductor nanocrystals and quantum dots. Here, we demonstrate unexpected quantum size effects in an unusual bulk system with multiple interfaces, consisting of alternating layers of nanocrystalline silicon (nc-Si:H) and amorphous silicon (a-Si:H) material thin films. The nc-Si:H layers consist of silicon nanocrystals embedded in an amorphous matrix, with an amorphous-crystalline interface separating the two structures. Plasma-enhanced chemical vapor deposition was utilized to grow nanocrystalline-amorphous silicon superlattices with a varying thickness of the nanocrystalline layer. Strong visible photoluminescence at room temperature was deconvoluted into individual peaks. As the nanocrystalline silicon layer thickness was increased from 5 to 20 nm, the photoluminescence spectra red-shifted with the emission wavelength varying as d 2 (d is the size of the nanocrystallites), the characteristic signature underlying quantum size effects. The size d of the nanocrystals was estimated by the measured shift of the Raman peak, and could be tuned by varying the thickness of the nc-Si:H layers. High resolution transmission electron microscopy show nanocrystals with a narrow size distribution, in an amorphous matrix. We also observe long wavelength photoluminescence from interfacial states that leads to persistent photconductivity. In conclusion nanocrystalline-amorphous superlattices offer a unique pathway for synthesizing embedded nanocrystals with controlled sizes and photonic signatures.

36 MATERIALS SCIENCE↗