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At least 1,495 records · Page 83

Thermal/epithermal experiments with hafnium (TEX-Hf)

Critical experiment benchmarks are essential for validating calculational techniques used by criticality safety engineers to guarantee safe fissile material operations, yet there remain significant areas of need where existing benchmarks are insufficient or entirely absent. There is a particularly notable shortage of intermediate benchmarks (where the majority of fissions are caused by neutrons with energy between 0.625 eV and 100 keV). This work describes the design of a set of critical experiments (TEX-Hf) that address this gap by developing a highly enriched uranium (HEU) test bed into which various materials of interest (diluents) can be substituted. The first diluent to be investigated with this test bed is hafnium, a neutron poison used in nuclear applications for which there are no sufficiently sensitive benchmarks. Twenty-one critical configurations made up of stacked disks of HEU, polyethylene, and hafnium were designed and simulated in MCNP6 to calculate their fission energy spectra and the sensitivity of k{sub eff} to changes in various cross sections. It was shown that configurations spanned the energy range from thermal (below 0.625 eV), through the intermediate energy range (0.625 eV to 100 keV), to fast (above 100 keV). Furthermore, it was determined that this set of experiments is sensitive to the hafnium and {sup 235}U cross section data. These test bed experiments were designed to allow substitution of various diluent plates and can therefore be used to quickly and easily produce many more benchmarks. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Integrating Safety, Security, and Nuclear Operations for Advanced Reactors

The traditional separation between safety, security, and operations teams has created significant barriers to achieving optimal outcomes. When security considerations are introduced late in the design process, they often conflict with already-established architectural, operational, or engineering parameters. Retrofitting security measures can lead to increased costs, schedule delays, and compromises in security effectiveness. For instance, the need to retrofit physical barriers or surveillance systems often results in trade-offs that could have been avoided with earlier input from security professionals. Delayed integration can also affect regulatory processes and result in licensing delays. Security reviews conducted at later stages frequently identify gaps that necessitate significant redesign efforts, impacting not only scope, schedule, and budget, but also adding risk and lowering stakeholder confidence in the project. This paper aims to address these challenges by identifying practical opportunities for integrating security considerations seamlessly with design and operations teams throughout the entire lifecycle of nuclear facilities—from conceptual design to commissioning and beyond. The research emphasizes the value of early and continuous collaboration among stakeholders to ensure that security measures are robust, operationally effective, and cost-efficient. By examining case studies, analyzing past incidents, and leveraging best practices from other high-security industries, this study highlights actionable strategies for bridging the gap between safety, security, and operations teams.

Zineddin, Dr. Z. [ORNL] (ORCID:0009000848740725)↗

Giant spin-splitting and gap renormalization driven by trions in single-layer WS 2 /h-BN heterostructures

In two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs), new electronic phenomena such as tunable bandgaps and strongly bound excitons and trions emerge from strong many-body effects, beyond the spin and valley degrees of freedom induced by spin-orbit coupling and by lattice symmetry. Combining single-layer TMDs with other 2D materials in van der Waals heterostructures offers an intriguing means of controlling the electronic properties through these many-body effects, by means of engineered interlayer interactions. Here, we use micro-focused angle-resolved photoemission spectroscopy (microARPES) and in situ surface doping to manipulate the electronic structure of single-layer WS 2 on hexagonal boron nitride (WS 2 /h-BN). Upon electron doping, we observe an unexpected giant renormalization of the spin-orbit splitting of the single-layer WS 2 valence band, from 430 meV to 660 meV, together with a bandgap reduction of at least 325 meV, attributed to the formation of trionic quasiparticles. Furthermore, these findings suggest that the electronic, spintronic and excitonic properties are widely tunable in 2D TMD/h-BN heterostructures, as these are intimately linked to the quasiparticle dynamics of the materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Enhanced surface modification engineering (H, F, Cl, Br, and NO{sub 2}) of CdS nanowires with and without surface dangling bonds

Semiconductor nanowires (NWs) can be applied in gas sensing and cell detection, but the sensing mechanism is not clearly understood. In this study, surface modification effect on the electronic properties of CdS NWs for different diameters with several species (H, F, Cl, Br, and NO{sub 2}) is investigated by first principles calculations. The surface dangling bonds and halogen elements are chosen to represent the environment of the surface. Halogen passivation drastically changes the band gaps due to the strong electronegativity and the energy level of halogen atoms. Density of states analysis indicates that valence band maximum (VBM) of halogen-passivated NWs is formed by the p states of halogen atoms, while VBM of H-passivated NWs is originated from Cd 4d and S 3p orbitals. To illustrate that surface modification can be applied in gas sensing, NO{sub 2}-absorbed NWs with different coverage are calculated. Low coverage of NO{sub 2} introduces a deep p-type dopant-like level, while high coverage introduces a shallow n-type dopant-like level into the band structure. The transformation is due to that at low coverage the adsorption is chemical while at high coverage is physical. These findings might promote the understanding of surface modification effect and the sensing mechanism of NWs as gas sensors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accomplishments and Year-End Performance Report; Wind Energy Program: Fiscal Year 2021

The National Wind Technology Center (NWTC), located at the U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL) Flatirons Campus, has been a driving force in advancing wind energy technology research worldwide since its designation as a DOE national research center in 1992. Enabled by the Flatirons Campus's world-class facilities, scientists, engineers, analysts, and researchers are pushing the frontiers of science to pursue wind energy innovation. In Fiscal Year (FY) 2021, NREL continued to provide the technical expertise, research capabilities, and industry understanding to support DOE's ambitious climate action and research goals by advancing technology, addressing market and deployment barriers, and driving down costs with more efficient, reliable, and predictable wind energy systems. One of several highlights, NREL received an R&D 100 Special Recognition Award for its Thermoplastic Resin System for Wind Turbine Blades. This breakthrough in the wind turbine manufacturing process will enable the production of recyclable blades that are stronger, longer, and less expensive, while increasing energy capture, decreasing energy and transportation costs, and increasing blade reliability. In a year when the entire U.S. economy struggled to address workforce gaps, an NREL study compared wind industry needs, training programs, and hiring practices with perspectives from students and recent college graduates. Researchers hope that, by pinpointing areas of disconnect, the expectations of employers who have difficulty filling entry-level jobs can better align with the preparation of the potential applicants who find it hard to break into the field. The lab also made numerous new data and modeling resources available in FY 2021. Recent NREL releases include a modeling tool for predicting the power performance and structural loads of wind turbines within a wind farm (FAST.Farm), a computational framework for modeling golden eagle behavior near wind farms, and 20 years of offshore wind data. Updates were also made to the widely used Wind Plant Integrated Systems Design and Engineering Model (WISDEM), which couples engineering and cost models to examine system-level trade-offs. Now, bolstered by a renewed national commitment to tackle climate change and revitalize the U.S. economy through increased investment in clean energy - particularly in offshore wind energy - NREL stands poised to lead the way to a sustainable future that powers the United States with significant levels of reliable, low-cost, accessible wind energy. This report provides an overview of the achievements NREL made on behalf of DOE's Wind Energy Technologies Office (WETO) and other partners during FY 2021 (between Oct. 1, 2020, and Sept. 30, 2021).

Flatirons Campus↗

Feasibility of using in situ deformation to monitor CO 2 storage

Deformation during CO 2 injection can lead to problems, like seismicity or fluid leaks, but small strains have the potential to be a useful signal for monitoring. The objective of this paper is to evaluate the possible evolution of the strain field during injection, and then assess existing and emerging techniques for measuring the strain field. Poroelastic analyses show that normal strains caused by injection into a reservoir are tensile in the vicinity of the well, but everywhere else at least one strain component is compressive. The vertical strain is compressive in the confining unit, and the radial strain decreases and changes sign from tensile to compressive with distance from the well. Tilting is away from the injection well at the ground surface, but it is towards the well overlying the reservoir. Methods for measuring in-situ strain include instruments that are grouted in the annulus between casing and wall rock (~ 0.1 microstrain resolution), portable strain sensors that are temporarily clamped to the borehole wall (~0.01 microstrain resolution), and strainmeters that are grouted in place (~0.001 microstrain resolution). Instruments for measuring in-situ normal strains at the magnitudes and rates expected during injection are emerging, but they have yet to be fully evaluated in applications related to CO 2 storage. Finally, in-situ strain data measured with emerging instruments promises to fill an important gap between the episodes of fast strain rates measured by seismic data, and the slow strains measured over relatively long periods of time by InSAR and GPS.

42 ENGINEERING↗

The fast and the furious: Ultrafast hot electrons in plasmonic metastructures. Size and structure matter

This review focuses on the generation of energetic (hot) electrons in plasmonic metastructures and nanomaterials, and their characterization through time-resolved spectroscopy. Excitation of hot electrons under illumination occurs in any metal or conductor, but their number will vary for each type of nanostructure. While plasmonic resonances are well described classically, the excitation of hot electrons (HEs) is a quantum process and its description requires further elaboration. Some potential applications for HEs lie in the fields of photo-catalysis and optoelectronics, and their study constitutes a very active interdisciplinary research direction that involves chemistry, physics and device engineering. Here we focus on some particular developments enabling the use of hot carriers for these applications. Particularly, we discuss the approaches and structures required to create hot carriers, the temporal dynamics of hot carrier formation and relaxation, and relevant theoretical methods used to compute the HE dynamics. The observations presented here support the conclusion that the shape of the nanostructure matters. Although metastructures with infrared gap plasmons can exhibit spatially extended hot spots and anomalously large numbers of non-thermalized HEs, most excited carriers in a plasmonic nanostructure typically have small excitation energies. Here in this paper, we discuss ways to strongly increase the number of high-energy electrons, highlighting the role of hot spots, system size, geometry and resonant frequencies. To generate HEs efficiently, we can take advantage of special geometries with hot spots, such as metamaterial absorbers with ultra-narrow gaps or nanostars. Furthermore, we discuss the applications in ultrafast electronics based on plasmon-enhanced photoemission and tunneling in the nonlinear regime. Considering the longer timescale phenomena, we also present studies on the coherent dynamics in a nanostructure after electron thermalization, showing acoustic breathing modes. In this paper, we review some key developments in the field of ultra-fast plasmonic dynamics and provide a perspective for its possible next steps.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Observation of possible topological in-gap surface states in the Kondo insulator SmB 6 by photoemission

SmB 6 , a well-known Kondo insulator, exhibits a transport anomaly at low temperature. This anomaly is usually attributed to states within the hybridization gap. Recent theoretical work and transport measurements suggest that these in-gap states could be ascribed to topological surface states, which would make SmB6 the first realization of topological Kondo insulator. Here by performing angle-resolved photoemission spectroscopy experiments, we directly observe several dispersive states within the hybridization gap of SmB 6 . These states show negligible k z dependence, which indicates their surface origin. Furthermore, we perform photoemission circular dichroism experiments, which suggest that the in-gap states possess chirality of the orbital angular momentum. These states vanish simultaneously with the hybridization gap at around 150 K. Together, these observations suggest the possible topological origin of the in-gap states.

42 ENGINEERING↗

Report on UQ Assessments to support SESAME wire-wrapped bundle experiment

This work assesses the influence of assumptions made when generating a mesh of a wire-wrapped geometry. The contact region between a wire and its adjacent pin is commonly modeled by either embedding the wire to the adjacent pin or trimming the wire so that a gap separates the wire from its adjacent pin. These models are referred to as close-gap and open-gap approaches herein and are applied to two geometries. The first geometry consists of a single pin wire-wrapped subchannel. A polyhedral mesh and a hexahedral mesh are generated. The second and third geometry are a 7-pin and a 19-pinwire-wrapped bundles meshed with polyhedral elements only. Pressure drops are obtained with the STAR-CCM+computational fluid dynamic package. Sensitivity analyses of the mesh density, the mesh type, and the turbulent models are performed. Numerical results show that the best match to the experimental data and to the Cheng-Todreas correlation is obtained with the combination of a hexahedral mesh, the shear stress transport (SST) turbulent model, and the open-gap approach. In the case of the 7-pin geometry, the best results are obtained with the open-gap approach and the SST turbulent model. The 19-pin geometry yields contradictory results to the 7-pin geometry results, and thus will require further investigations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

EMPIRE-PIC Code Verification of a Cold Diode

This report presents the code verification of EMPIRE-PIC to the analytic solution to a cold diode which was first derived by Jaffe. The cold diode was simulated using EMPIRE-PIC and the error norms were computed based on the Jaffe solution. The diode geometry is one-dimensional and uses the EMPIRE electrostatic field solver. After a transient start-up phase as the electrons first cross the anode-cathode gap, the simulations reach an equilibrium where the electric potential and electric field are approximately steady. The expected spatial order of convergence for potential, electric field and particle velocity are observed.

42 ENGINEERING↗

Code and Solution Verification Assessment of the CTF Thermal Hydraulic Subchannel Code

CTF is a thermal-hydraulics subchannel code jointly developed by Oak Ridge National Laboratory and North Carolina State University. Over the past seven years, the Consortium for Advanced Simulation of Light Water Reactors (CASL) has made a significant investment in developing CTF so it can be used to model light water reactors, including nominal operating conditions, departure from nucleate boiling analysis, and transients ranging from loss of flow to reactivity insertion accidents. In addition to implementing new modeling capabilities and developing the user input and output interface, extensive work has been performed to improve the code’s quality assurance program, resulting in a development process that conforms with NQA-1 requirements. The CASL program follows the Predictive Capability Maturity Model (PCMM) approach for assessing code quality, which emphasizes performing code verification(ensuring the code converges to the correct answer) and solution verification (ensuring the code converges for the intended application). Code and solution verification are used to identify uncertainty errors introduced by numerical approximations in the code and are important for demonstrating that the model is coded without error, which is an important aspect of the Best Estimate plus Uncertainty method. This paper presents a comprehensive overview of the code and solution verification testing that has been performed on CTF. A top-down approach is taken in which the intended CTF applications are presented, followed by the code features required for their modeling. These features are then linked to the applicable code and solution verification tests that demonstrate proper functioning. Past testing efforts are summarized, and new tests are added to help close gaps in the presented test matrix. Rather than performing “one-off” exercises, these tests are added to the automated CTF regression test suite to ensure continual code quality.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Human Thermal Assessment of Traverse and Geology Task Iterations During Simulated Lunar Extravehicular Activity

Spacewalks or extravehicular activities (EVA) in microgravity are mentally and physically demanding. Current microgravity EVAs are predominantly focused on upper body tasks on engineered surfaces; however, the introduction of gravity means that crew members during future lunar EVAs will be required to perform tasks that generate full body workloads such as navigating natural lunar terrain while conducting geological sampling. To date, only 12 people have walked on the surface of the Moon resulting in limited knowledge of suited thermal regulation under lunar-relevant physical workloads. To address this gap, a study is underway to focus on spacesuit operations with simulated lunar EVA workloads. This study presents methodology for collecting standard thermal measures during suit testing. In this pilot study, two suited subjects underwent simulated lunar EVAs using the NASA Active Response Gravity Offload System (ARGOS) to simulate the effects of partial gravity. Each lunar EVA, lasting three to five hours, included various metabolically demanding EVA tasks. Subjects donned the NASA Mark III (MK III) space suit and were offloaded to 1/6th G (lunar gravity). A subset task circuit from one of these simulations replicated an EVA traverse to a lunar crater, taking a geological sample, and returning to base. The suited subject walked one 1500 m (0% grade) and three 500 m traverses at three different grades (10, 20, 30%). Between each traverse, subjects performed geology sampling tasks (0 and 10% grade). Thermal measurements included core and skin temperature, liquid cooling garment (LCG) inlet and outlet temperature, and spacesuit gas inlet and outlet temperature and humidity. Compared to baseline core temperature (S1 = 37.07±0.32 °C, S2 = 37.27±0.01 °C) and mean skin temperature (S1 = 32.38±0.34 °C, S2 = 33.62±0.03 °C), after a 1500 m traverse, each suited subject showed an increased core temperature (S1 = 37.23±0.12 °C, S2 = 37.41±0.11°C) and decreased mean skin temperature (S1 = 32.16±0.17 °C, S2 = 31.53±1.15 °C) at a delta LCG temperature (S1 = 1.86±0.24 °C, S2 = 2.20±0.76 °C) and delta suit humidity (S1 = 9.66±1.49 %, S2 = 11.50±1.58 %). Core temperature continued to increase from compounding traverse and geology tasks (S1 = 38.04±0.03 °C, S2 = 38.1±0.02 °C) accompanied by an increase in delta LCG temperature (S1 = 2.24±0.13 °C, S2 = 2.67±0.12 °C) and delta suit humidity (S1 = 28±2.42 %, S2 = 31±2.13 %). Conversely, as the circuit progressed, mean skin temperature continued to decrease due to sustained LCG heat rejection (S1 = 30.08±0.15 °C, S2 = 30.28±0.07 °C). During the simulated EVA circuit core temperature increased to elevated values and remained elevated as heat was retained while mean skin temperature decreased due to peripheral heat offloaded to the LCG. The thermal measures collected during this study provided critical heat loading dynamics during lunar EVA tasks. Including core and skin temperatures along with suited thermal measures provides a standard data collection scheme for human thermal metrics during EVA task management. Data collected in this configuration can be used to build future lunar EVA task circuits and human thermal predictions.

Bradley Hoffmann↗

Two phase gap cooling of an electrical machine

An electro-dynamic machine has a rotor and stator with a gap therebetween. The machine has a frame defining a hollow interior with end cavities on axially opposite ends of the frame. A gas circulating system has an inlet that supplies high pressure gas to the frame interior and an outlet to collect gas passing therethrough. A liquid coolant circulating system has an inlet that supplies coolant to the frame interior and an outlet that collects coolant passing therethrough. The coolant inlet and gas inlet are generally located on the frame in a manner to allow coolant from the coolant inlet to flow with gas from the gas inlet to the gap. The coolant outlet and gas outlet are generally located on the frame in a manner to allow the coolant to be separated from the gas with the separated coolant and gas collected for circulation through their respective circulating systems.

42 ENGINEERING↗

Combustor assembly for low-emissions and alternate liquid fuels

Implementations of a combustor assembly yield low emissions, require low power, are suitable for alternate liquid fuels, including highly viscous fuels, and are scalable for various heat release rates. The combustor assembly includes a fuel injector and a swirler. The fuel injector may include a choke portion and a spacer. The choke portion is disposed just upstream of an outlet of a liquid fuel conduit and prevents atomizing gas from interrupting continuous flow of the liquid fuel through the liquid fuel conduit. The spacer is disposed downstream of the outlet to precisely control the gap and thus, bifurcation of atomizing gas flow, between the outlet of liquid fuel conduit and an inlet of an orifice plate. The swirler is disposed radially outwardly and adjacent the fuel injector and includes a plurality of angled vanes.

42 ENGINEERING↗

A gradient-based optimization approach for the detection of partially connected surfaces using vibration tests

The integrity of engineering structures is often compromised by embedded surfaces that result from incomplete bonding during the manufacturing process, or initiation of damage from fatigue or impact processes. Examples include delaminations in composite materials, incomplete weld bonds when joining two components, and internal crack planes that may form when a structure is damaged. In many cases the areas of the structure in question may not be easily accessible, thus precluding the direct assessment of structural integrity. In this paper, we present a gradient-based, partial differential equation (PDE)-constrained optimization approach for solving the inverse problem of interface detection in the context of steady-state dynamics. An objective function is defined that represents the difference between the model predictions of structural response at a set of spatial locations, and the experimentally measured responses. One of the contributions of our work is a novel representation of the design variables using a density field that takes values in the range [0, 1] and raised to an integer exponent that promotes solutions to be near the extrema of the range. The density field is combined with the penalty method for enforcing a zero gap condition and realizing partially bonded surfaces. Furthermore the use of the penalty method with a density field representation leads to objective functions that are continuously differentiable with respect to the unknown parameters, enabling the use of efficient gradient-based optimization algorithms. Numerical examples of delaminated plates are presented to demonstrate the feasibility of the approach.

42 ENGINEERING↗

A systematic review of machine learning in groundwater monitoring

With increasing concerns about water scarcity, groundwater has become crucial since this resource provides most of the freshwater needs. However, various human and natural activities often contaminate the groundwater, making it unsuitable for use. Over the years, scientists and engineers have used many methods to predict and track groundwater contamination as part of environmental monitoring. Consequently, there is an urgent need for improved methods, particularly in the face of increasing contamination. Machine learning has sometimes been used to monitor groundwater, air quality, and climate. Traditional methods must be improved due to the complexity and large amount of environmental data. This includes using hybrid models that combine traditional and new techniques. Despite the use of machine learning in many scientific areas, there is a lack of comprehensive reviews focusing on its use in environmental monitoring, especially groundwater monitoring. We aim to fill this gap by exploring machine-learning applications in groundwater monitoring. We discuss relevant methods, their limitations, and future potential. We summarize research on automating data processing and model training using groundwater sensor data. Our research underscores the transformative potential of machine learning to revolutionize long-term groundwater monitoring and contamination detection, providing valuable insights for future research and practical applications.

AI/ML↗

The role of spray-enhanced swirl flow for combustion stabilization in a stratified-charge DISI engine

Implementing spray-guided stratified-charge direct-injection spark-ignited (DISI) engines is inhibited by the occurrence of misfire and partial burns. Engine-performance tests demonstrate that increasing engine speed induces combustion instability, but this deterioration can be prevented by generating swirling flow during the intake stroke. In-cylinder pressure-based heat-release analysis reveals that the appearance of poor-burn cycles is not solely dependent on the variability of early flame-kernel growth. Moreover, cycles can experience burning-rate regression during later combustion stages and may or may not recover before the end of the cycle. Thermodynamic analysis and optical diagnostics are used here to clarify why swirl improves the combustion repeatability from cycle to cycle. The fluid dynamics of swirl/spray interaction was previously demonstrated using high-speed PIV measurements of in-cylinder motored flow. It was found that the sprays of the multi-hole injector redistribute the intake-generated swirl flow momentum, thereby creating a better-centered higher angular-momentum vortex with reduced variability. The engine operation with high swirl was found to have significant improvement in cycle-to-cycle variations of both flow pattern and flow momentum. This paper is an extension of the previous work. Here, PIV measurements and flame imaging are applied to fired operation for studying how the swirl flow affects variability of ignition and subsequent combustion phases. PIV results for fired operation are consistent with the measurements made of motored flow. They demonstrate that the spark-plasma motion is highly correlated with the direction of the gas flow in the vicinity of the spark-plug gap. Without swirl, the plasma is randomly stretched towards either side of the spark plug, causing variability in the ignition of the two spray plumes that are straddling the spark plug. Conversely, swirl flow always convects the spark plasma towards one spray plume, causing a more repeatable ignition. The swirl decreases local RMS velocity, consistent with an observed reduction of early-burn variability. Broadband flame imaging demonstrates that with swirl, the flame consistently propagates in multiple directions to consume fuel–air mixtures within the piston bowl. In contrast, operation without swirl displays higher variability of flame-spread patterns, occasionally causing the appearance of partial-burn cycles.

33 ADVANCED PROPULSION SYSTEMS↗

Ligand-Dependent Tuning of Interband and Intersubband Transitions of Colloidal CdSe Nanoplatelets

Although surface ligands of colloidal nanocrystals are known to adjust the absolute energy levels of valence and conduction bands of semiconductor nanocrystals, they typically have only minor influence on the band gap or effective masses. This changes in nanoplatelets. Ligand exchange of CdSe colloidal nanoplatelets induces large (up to 300 meV) bathochromic shifts of both interband and intersubband transitions. Here, three families of ligands-halides, thiolates, and phosphonates-are used to tune interband transitions, reflecting electron and hole confinement, across visible wavelengths and intersubband transitions, reflecting electron confinement, across the near-infrared spectral window. Furthermore, careful examination shows that delocalization from expansion of the nanoplatelet short axis, which was reported previously, cannot alone explain observed red shifts. Instead, comparison of intersubband, interband, and hole energy levels shows that ligand head group chemistry confers specific, idiosyncratic adjustments of the contribution of conduction and valence bands to the observed bathochromic shifts. Phosphonate ligands show the largest band gap reductions but the smallest red shift of intersubband transition energies; halide-exchanged samples displayed smaller reductions in band gap but large red shifts of intersubband transitions; thiolates fall in between. A related specificity is observed in hole states, which implicates ligand-responsive valence band curvature as an additional contribution driving optical changes. For nanoplatelets, surface ligand chemistry offers not only a tool to adjust the absolute energy level of conduction and valence bands but also an alternative route to preferential electron or hole band engineering that is normally achieved with inorganic shells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗