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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electron transfer calculations between edge sharing octahedra in hematite, goethite, and annite

A key reaction underlying the charge transport in iron containing oxides, clays, micas is the Fe$^{2+}$-Fe$^{3+}$ exchange reaction between edge-sharing iron octahedra. These reactions facilitate conduction in these minerals by the thermally-activated hopping of small polarons across the lattice. Depending on the mineral and local charge state the small polaron can either encase an electron or hole. The probability for conduction of small polarons depends strongly on the height and adiabicity of the reaction barrier, with larger and more diabatic barriers yielding slow conduction associated with either weak coupling or a large prerequisite rearrangement of the lattice during charge transport. To model these reactions, a first principle electron transfer (ET) method was developed to model the small polaron hopping between the edge-sharing octahedra sites in hematite ($e^{-}$ polaron), goethite ($e^{-}$ polaron), and annite ($h^{+}$ polaron) bulk structures. The ET method is based on electronic structure methods (i.e., plane-wave Density Functional Theory) capable of performing calculations with periodic cells and large size systems efficiently while at the same time being accurate enough to be used in the estimation of the electron-transfer coupling matrix element, $V_{AB}$, and the electron transfer transmission factor, $\kappa_{el}$. Additionally, the calculations confirmed the existence of small polarons in all three minerals, and the reactions were predicted to be strongly adiabatic. It was found that transfer of a hole in the octahedral layer of annite had an adiabatic barrier of $0.311$ eV, and the transfer of an extra electron in hematite and goethite had adiabatic barriers of $0.242$ eV and $0.232$ eV respectively. The electronic coupling parameters,$V_{AB}$, were found to be $0.188$ eV, $0.196$ eV, and $0.102$ eV respectively for hematite, goethite, and annite. While similar bonding topologies pertain, the underlying basis for the differences is the subtle differences in local structures.

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

Convective heat transfer enhancement through additively built multiscale micro-tetrahedron features

Use of Additive Manufacturing (AM) to improve the heat transfer characteristics of tip shrouds in high-pressure turbines is being considered by industries. Existing designs of these components integrate micro-cooling channels to reduce the bulk temperature for improved life. In this research, closely packed micro tetrahedron features in addition to AM roughness has been considered. Further, this multiscale surface characteristics increased surface area per unit volume available for heat exchange. Micro-tet features were designed, manufactured, characterized, and evaluated systematically while increasing their height. An enormous increase in the overall wetted surface area by 200 % was measured. The convective heat transfer enhancement was ~3.72 times EDM rough coupon, and friction factor enhancement was ~5.5 times EDM rough coupon. Furthermore, the proposed design offers 2.5 times enhanced heat transfer for a given 2 W pumping power compared to our EDM rough coupon. Heat transfer enhancement was observed to not vary strongly with increased Reynolds number. Such complex designs are only possible through additive manufacturing for increased heat transfer with little pressure penalty. Finally, increasing the micro-tet height for increased surface area and improved heat exchange beyond an upper limit might not be a significant benefit as it gets compensated by increasing skin friction.

42 ENGINEERING↗
DOE OSTI2014

Heat transfer characteristics of impinging steady and synthetic jets over vertical flat surface

In this paper, heat transfer characteristics of single-slot impinging steady and synthetic jets on a 25.4-mm × 25.4-mm vertical surface were experimentally investigated. The experiments were conducted with a fixed nozzle width of 1 mm. For the steady jet study, the parameters varied in the testing were nozzle length (4 mm, 8 mm, 12 mm, 15 mm), Reynolds (Re) number (100–2500), and dimensionless nozzle-to-plate spacing (H/D h = 5, 10, 15, 20). Correlations for average Nusselt (Nu) number were developed to accurately describe experimental data. The heat transfer coefficient over a vertical surface increases with increasing Re number. For a small nozzle-to-plate spacing (H/D h = 5), the average Nu number is not only a function of the Re number, but also a function of nozzle length. For large nozzle-to-plate spacing (H/D h ⩾ 10) and a nozzle length larger than 8 mm, the heat transfer coefficient is insensitive to H/D h and nozzle length. An 8-mm × 1-mm synthetic jet was studied by varying the applied voltage (20–100 V), frequency (200–600 Hz), and dimensionless nozzle-to-plate spacing (H/D h = 5, 10, 15, 20). Compared to the steady jet, the synthetic jet exhibited up to a 40% increase in the heat transfer coefficient. As a result, the dynamic Re number was introduced to correlate heat transfer characteristics between synthetic jets and steady jets. Using the dynamic Re number collapses the synthetic and steady jet data into a single Nu number curve.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2019

An analysis of (the lack of) slip transfer between near-cube oriented grains in pure Al

Slip transfer across grain boundaries was studied in annealed polycrystalline Al foils deformed in uniaxial tension by means of the analysis of the slip traces on the specimen surface. Grain orientations and selected grain boundary misorientations were measured on both surfaces of the sample using electron back-scattered diffraction mapping. Most of the grains were within 15° of a cube orientation and approximately half of the grains percolated through the specimen thickness. The Luster-Morris m ' parameter (that can be computed from the surface grain orientation) was used to assess the likelihood of slip transfer across boundaries. It was found that transfer across grain boundaries was rare in near-cube oriented grains, and consistently convincing evidence was only found when m ' > 0.97, which corresponds to low-angle boundaries with <15° misorientation. This behaviour was explained by the presence of many active slip slips in near-cube oriented grains that favor self-accommodation of the grain shape to the evolving boundary conditions imposed by neighboring grains instead of promoting slip transfer across the boundary. Finally, these results indicate that the alignment between slip planes and slip directions across the boundary is not the only important metric to determine the threshold for slip transfer, as the particular details of deformation in each grain (such as the number of available slip systems) also must be considered.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Natural element method for radiative heat transfer in a semitransparent medium with irregular geometries

This paper develops a numerical solution to the radiative heat transfer problem coupled with conduction in an absorbing, emitting and isotropically scattering medium with the irregular geometries using the natural element method (NEM). The walls of the enclosures, having temperature and mixed boundary conditions, are considered to be opaque, diffuse as well as gray. The NEM as a meshless method is a new numerical scheme in the field of computational mechanics. Different from most of other meshless methods such as element-free Galerkin method or those based on radial basis functions, the shape functions used in NEM are constructed by the natural neighbor interpolations, which are strictly interpolant and the essential boundary conditions can be imposed directly. The natural element solutions in dealing with the coupled heat transfer problem for the mixed boundary conditions have been validated by comparison with those from Monte Carlo method (MCM) generated by the authors. For the validation of the NEM solution to radiative heat transfer in the semicircular medium with an inner circle, the results by NEM have been compared with those reported in the literatures. For pure radiative transfer, the upwind scheme is employed to overcome the oscillatory behavior of the solutions in some conditions. The steady state and transient heat transfer problem combined with radiation and conduction in the semicircular enclosure with an inner circle are studied. Effects of various parameters such as the extinction coefficient, the scattering albedo, the conduction–radiation parameter and the boundary emissivity are analyzed on the radiative and conductive heat fluxes and transient temperature distributions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A hybrid transport-diffusion model for radiative transfer in absorbing and scattering media

A new multi-scale hybrid transport-diffusion model for radiative transfer is proposed in order to improve the efficiency of the calculations close to the diffusive regime, in absorbing and strongly scattering media. In this model, the radiative intensity is decomposed into a macroscopic component calculated by the diffusion equation, and a mesoscopic component. The transport equation for the mesoscopic component allows to correct the estimation of the diffusion equation, and then to obtain the solution of the linear radiative transfer equation. In this work, results are presented for stationary and transient radiative transfer cases, in examples which concern solar concentrated and optical tomography applications. The Monte Carlo and the discrete-ordinate methods are used to solve the mesoscopic equation. It is shown that the multi-scale model allows to improve the efficiency of the calculations when the medium is close to the diffusive regime. The proposed model is a good alternative for radiative transfer at the intermediate regime where the macroscopic diffusion equation is not accurate enough and the radiative transfer equation requires too much computational effort.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Host absorption sensitizing and energy transfer to Eu³⁺ by Gd³⁺ in Ba₆Gd{sub 2–x}Na₂Eu{sub x}(PO₄)₆F₂

Eu³⁺ activated fluoro-apatite phosphors Ba₆Gd{sub 2–x}Na₂Eu{sub x}(PO₄)₆F₂ were synthesized using the traditional high temperature solid state reaction method, and their VUV–vis spectroscopic properties of Eu³⁺ were studied. The results show that phosphor Ba₆Gd₁.₉₀Na₂Eu₀.₁₀(PO₄)₆F₂ has intense absorption in the VUV range because of Gd³⁺ ions as sensitizers. The energy transfer process from Gd³⁺ to Eu³⁺ in Ba₆Gd{sub 2-x}Na₂Eu{sub x}(PO₄)₆F₂ were investigated and discussed in terms of luminescence spectra and decay curves, showing that the energy transfer of Gd³⁺→Eu³⁺ is efficient. - Graphical abstract: The Gd³⁺ ions can enhance the host-related absorption in VUV range. The energy transfer from Gd³⁺ to Eu³⁺ ions is efficient. Highlights: • The Gd³⁺ ions play an important role in enhancing the host-related absorption in VUV range. • The charge-transfer energy of Eu³⁺ decreases from Ca²⁺ to Sr²⁺ and Ba²⁺ in M₆Gd₁.₉₀Na₂Eu₀.₁₀(PO₄)₆F₂ (M=Ca, Sr, Ba). • There is efficient energy transfer from Gd³⁺ to Eu³⁺ in Ba₆Gd{sub 2–x}Na₂Eu{sub x}(PO₄)₆F₂.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Color tunable phosphor CaMoO{sub 4}:Eu{sup 3+},Li{sup +} via energy transfer of MoO{sub 4}{sup 2−}–Eu{sup 3+} dependent on morphology and doping concentration

Graphical abstract: Nanostructured phosphor CaMoO{sub 4}:Eu{sup 3+},Li{sup +} with various delicate morphologies has been obtained by molten salt synthesis. The luminescent color and the morphology of the phosphor are tuned by controlling the sintering temperature and the molar ratio of salt KCl to molybdates CaMoO{sub 4}. Highlights: ► Phosphor CaMoO{sub 4}:Eu{sup 3+},Li{sup +} with various delicate morphologies has been obtained. ► Energy transfer MoO{sub 4}{sup 2−} → Eu{sup 3+} is dependent on morphology and doping concentration. ► The luminescent color can be tuned by controlling energy transfer of MoO{sub 4}{sup 2−}–Eu{sup 3+}. - Abstract: The cooling rate and the solubility of molybdate in molten salt play crucial roles on the microscopic morphologies and photoluminescence (PL) properties of the phosphor CaMoO{sub 4}:Eu{sup 3+},Li{sup +}. Undoped CaMoO{sub 4} exhibits self-activated green PL with a broad emission band which is assigned to the spin forbidden {sup 3}T{sub 1,2}–{sup 1}A{sub 1} transition of the MoO{sub 4}{sup 2−} complex. The strong UV absorption of undoped CaMoO{sub 4} is originated from the charge transfer from O{sup 2−} ligands to the central Mo{sup 6+} ions inside MoO{sub 4}{sup 2−} group. The emission of the phosphor CaMoO{sub 4}:Eu{sup 3+},Li{sup +} obtained by molten salt synthesis (MSS) at 900 °C is composed of a broad green emission from MoO{sub 4}{sup 2−} and a group of sharp red emission peaks from f–f transitions of Eu{sup 3+}. Efficient energy transfer from MoO{sub 4}{sup 2−} to Eu{sup 3+} is responsible for the increased red PL of the phosphor. The dependence of energy transfer efficiency on the processing conditions and doping concentration has been investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Energy transfer and 2.0 μm emission in Tm{sup 3+}/Ho{sup 3+} co-doped α-NaYF{sub 4} single crystals

Highlights: • Cubic NaYF{sub 4} single crystals co-doped with ∼1.90 mol% Tm{sup 3+} and various Ho{sup 3+} concentrations were grown by Bridgman method. • The maximum fluorescence lifetime was 23.23 ms for Tm{sup 3+} (1.90 mol%)/Ho{sup 3+} (3.89 mol%) co-doped α-NaYF{sub 4}. • The obtained energy transfer rate (W{sub ET}) and energy transfer efficiency (η) of Tm{sup 3+}:{sup 3}F{sub 4} are 1077 s{sup −1} and 95.0%, respectively. • The maximum emission cross section reached 1.06 × 10{sup −20} cm{sup 2}. - Abstract: Cubic NaYF{sub 4} single crystals co-doped with ∼1.90 mol% Tm{sup 3+} and various Ho{sup 3+} concentrations were grown by Bridgman method. The energy transfer from Tm{sup 3+} to Ho{sup 3+} and the optimum fluorescence emission around 2.04 μm of Ho{sup 3+} ion were investigated based on the measured absorption spectra, emission spectra, emission cross section and decay curves under excitation of 800 nm LD. The emission intensity at 2.04 μm increased with the increase of Ho{sup 3+} concentration from 0.96 mol% to 3.89 mol% when the concentration of Tm{sup 3+} was held constantly at ∼1.90 mol%. Moreover, the maximum emission cross section reached 1.06 × 10{sup −20} cm{sup 2} and the maximum fluorescence lifetime was 23.23 ms for Tm{sup 3+}(1.90 mol%)/Ho{sup 3+}(3.89 mol%) co-doped one. According to the measured lifetime of Tm{sup 3+} single-doped and Tm{sup 3+}/Ho{sup 3+} co-doped samples, the maximum energy transfer efficiency of Tm{sup 3+}:{sup 3}F{sub 4} level was 95.0%. Analysis on the fluorescence dynamics indicated that electric dipole–dipole is dominant for the energy transfer from Tm{sup 3+} to Ho{sup 3+}.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of MgO shell on electron transfer from Cu doped ZnInS quantum dots to FePt nanoparticles

Highlights: • MgO-coated FePt NPs were synthesized using 4 nm FePt cores as seeds for the growth of MgO shell. • Significant PL quenching took place in Cu doped ZnInS QD-FePt NP system owing to photoexcited electron transfer. • The formation of interfacial MgO barriers could efficiently restrain the electron transfer at QD-FePt interface. - Abstract: The effect of MgO shell on the electron transfer between luminescent Cu doped ZnInS quantum dots (QDs) and magnetic FePt/MgO core/shell nanoparticles (NPs) was studied by using steady-state and time-resolved photoluminescence (PL) spectroscopy. MgO-coated FePt NPs were synthesized using 4 nm FePt cores as seeds for the growth of MgO shell, having a reduced saturation magnetization Ms compared to the pure FePt NPs. It was found that the shortening in PL lifetime of Cu doped ZnInS QDs induced by FePt NPs demonstrated an electrons transfer process from excited QDs to the adjacent FePt NPs. When FePt NPs were coated with a MgO shell, the low work function of MgO shell resulted in a formation of higher interfacial barriers between Cu doped ZnInS QDs and FePt NPs, significantly suppressing the electron transfer at Cu doped ZnInS QD-FePt NP interface.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

New frontiers in atom probe tomography: a review of research enabled by cryo and/or vacuum transfer systems

There has been a recent surge in the use of cryo and/or vacuum specimen preparation and transfer systems that are broadening the scope of research enabled by the microscopy technique of atom probe tomography. This is driven by the fact that, like for many microscopes, the application of atom probe to air and temperature sensitive materials or wet biological specimens has previously been limited by through-air-transfer and through-vacuum-transfer at room temperature. Here we provide an overview of the critical areas of research that require these new transfer and analysis protocols, as well as a review of current advances in transfer devices, environmental cells and glove boxes for controlled sample manipulation. This includes the study of catalysis and corrosion, the application of atom probe to biological samples, the study of liquid-solid interfaces, natural ageing investigations and the analysis of hydrogen in metals.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Enhanced pool boiling heat transfer using novel inverted trapezoid microgroove structures

Pool boiling heat transfer improvements with enhanced surfaces have been extensively studied for various hydrofluorocarbon (HFC) refrigerants. However, there is a limited number of studies in the open literature that focus on the pool boiling heat transfer characteristics of hydrofluoroolefin (HFO) refrigerants on enhanced surfaces. This study aims to address this gap by analyzing the pool boiling behavior of HFO refrigerants, specifically R1234yf and R1234ze(E). Experiments were conducted on both plain surfaces and novel inverted trapezoid microgroove structures. Further, the experimental results indicate that the microgroove structures can improve heat transfer coefficients by up to 80% compared to plain surfaces. Additionally, the performance of R1234yf and R1234ze(E) was compared to that of R134. It was observed that R1234yf exhibited comparable performance to R134a, while R1234ze(E) showed slightly lower performance. To assess the influence of saturation temperature on pool boiling heat transfer, tests were conducted at different saturation temperatures of 15℃, 25℃, and 35℃. The findings revealed that the pool boiling heat transfer coefficient increases with rising saturation temperature.

42 ENGINEERING↗
DOE OSTI2012

Waste disposal technology transfer matching requirement clusters for waste disposal facilities in China

Highlights: Black-Right-Pointing-Pointer We outline the differences of Chinese MSW characteristics from Western MSW. Black-Right-Pointing-Pointer We model the requirements of four clusters of plant owner/operators in China. Black-Right-Pointing-Pointer We examine the best technology fit for these requirements via a matrix. Black-Right-Pointing-Pointer Variance in waste input affects result more than training and costs. Black-Right-Pointing-Pointer For China technology adaptation and localisation could become push, not pull factors. - Abstract: Even though technology transfer has been part of development aid programmes for many decades, it has more often than not failed to come to fruition. One reason is the absence of simple guidelines or decision making tools that help operators or plant owners to decide on the most suitable technology to adopt. Practical suggestions for choosing the most suitable technology to combat a specific problem are hard to get and technology drawbacks are not sufficiently highlighted. Western counterparts in technology transfer or development projects often underestimate or don't sufficiently account for the high investment costs for the imported incineration plant; the differing nature of Chinese MSW; the need for trained manpower; and the need to treat flue gas, bunker leakage water, and ash, all of which contain highly toxic elements. This article sets out requirements for municipal solid waste disposal plant owner/operators in China as well as giving an attribute assessment for the prevalent waste disposal plant types in order to assist individual decision makers in their evaluation process for what plant type might be most suitable in a given situation. There is no 'best' plant for all needs and purposes, and requirement constellations rely on generalisations meaning they cannot be blindly applied, but an alignment of a type of plant to a type of owner or operator can realistically be achieved. To this end, a four-step approach is suggested and a technology matrix is set out to ease the choice of technology to transfer and avoid past errors. The four steps are (1) Identification of plant owner/operator requirement clusters; (2) Determination of different municipal solid waste (MSW) treatment plant attributes; (3) Development of a matrix matching requirement clusters to plant attributes; (4) Application of Quality Function Deployment Method to aid in technology localisation. The technology transfer matrices thus derived show significant performance differences between the various technologies available. It is hoped that the resulting research can build a bridge between technology transfer research and waste disposal research in order to enhance the exchange of more sustainable solutions in future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Changing Directions: Influence of Ligand Electronics on the Directionality and Kinetics of Photoinduced Charge Transfer in Cu(I)Diimine Complexes

A key challenge to the effective utilization of solar energy is to promote efficient photoinduced charge transfer, specifically avoiding unproductive, circuitous electron-transfer pathways and optimizing the kinetics of charge separation and recombination. We hypothesize that one way to address this challenge is to develop a fundamental understanding of how to initiate and control directional photoinduced charge transfer, particularly for earth-abundant first-row transition-metal coordination complexes, which typically suffer from relatively short excited-state lifetimes. Here, in this paper, we report a series of functionalized heteroleptic copper(I)bis(phenanthroline) complexes, which have allowed us to investigate the directionality of intramolecular photoinduced metal-to-ligand charge transfer (MLCT) as a function of the substituent Hammett parameter. Ultrafast transient absorption suggests a complicated interplay of MLCT localization and solvent interaction with the Cu(II) center of the MLCT state. This work provides a set of design principles for directional charge transfer in earth-abundant complexes and can be used to efficiently design pathways for connecting the molecular modules to catalysts or electrodes and integration into systems for light-driven catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Permittivity Threshold and Thermodynamics of Integer Charge-Transfer Complexation for an Organic Donor–Acceptor Pair

Molecular or chemical-based charge doping provides a means to change the properties (e.g. conductivity) of a material through a complete or partial transfer of charge between its constituents. Understanding how local material environment impacts this process is thus important for controlling the properties of organic materials. This paper presents spectroscopic investigations of molecular charge transfer interactions between a pair of common charge-doping and -transporting materials (2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane, F4TCNQ, and N,N’-Diphenyl-N-N’-di-p-tolylbenzene-1,4-diamine, MPDA). Equilibrium constants associated with charge transfer were determined for donor-acceptor pairs dissolved in a series of solvents covering a range of values of permittivity. A threshold for highly favorable charge separation was observed to occur at a permittivity of ~8-9, with more and less favorable charge separation observed in solvents of higher and lower permittivity, respectively, but with chloroform (permittivity=4.81) exhibiting an anomalously favorable charge separation. Temperature-dependent studies were undertaken to assess the thermodynamics of charge separation. In 1,2- dichloroethane (permittivity=10.36) and chlorobenzene (permittivity=5.62), charge transfer was observed to be both enthalpically and entropically favorable. Charge separation in chloroform is exothermic and entropically disfavored, indicating that specific, inner-shell solvent-solute interactions stabilize the charge-separated complex and result in a net increase in local solution structure. Furthermore, our results provide insight on how modification to the chemical environment may be utilized to support stable charge transfer for molecular doping applications and requiring only modest changes in local permittivity.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Facile Electron Transfer to CO 2 during Adsorption at the Metal|Solution Interface

We estimate the rate of electron transfer to CO 2 at the Au (211)|water interface during adsorption in an electrochemical environment under reducing potentials. On the basis of density functional theory calculations at the generalized gradient approximation and hybrid levels of theory, we find electron transfer to the adsorbed *CO 2 to be very facile. This high rate of transfer is estimated by the energy distribution of the adsorbate-induced density of states as well as from the interaction between diabatic states representing neutral and negatively charged CO 2 . Up to 0.62 electrons is transferred to CO 2 , and this charge adiabatically increases with the bending angle to a lower limit of 137°. Finally, we conclude that this rate of electron transfer is extremely fast compared to the time scale of the nuclear degrees of freedom, that is, the adsorption process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Regioselective Ultrafast Photoinduced Electron Transfer from Naphthols to Halocarbon Solvents

Excited state decay of 2-naphthol (2N) in halocarbon solvents has been observed to be significantly slower when compared to that of 1-naphthol (1N). In this study, we provide new physical insights behind this observation by exploring the regioselective electron transfer (ET) mechanism from photoexcited 1N and 2N to halocarbon solvents at a detailed molecular level. Using state-of-the-art electronic structure calculations, we explore several configurations of naphthol–chloroform complexes and find that the proximity of the electron-accepting chloroform molecule to the electron-rich –OH group of the naphthol is the dominant factor affecting electron transfer rates. The origin of significantly slower electron transfer rates for 2N is traced back to the notably smaller electronic coupling when the electron-accepting chloroform molecule is on top of the aromatic ring distal to the –OH group. Furthermore, our findings suggest that regioselective photoinduced electron transfer could thus be exploited to control electron transfer in substituted acenes tailored for specific applications.

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

Efficient Size-Dependent Hot Electron Transfer from Au to TiO 2 Nanoparticles

Harvesting of plasmon-induced hot carriers at the metal/semiconductor interface offers a promising and innovative avenue for solar energy conversion. However, their practical implementation is often hampered by their limited efficiencies. Herein, we have demonstrated a highly efficient plasmonic hot electron transfer with a quantum efficiency (QE) of up to 57 ± 4% from 5.25 nm Au nanoparticles (NPs) to TiO 2 films under 400 nm ultrafast laser excitation. The observed hot electron transfer QEs decrease at larger particle sizes, to 20% for 9.1 nm Au, and show negligible changes with excitation wavelengths at 400, 500, and 600 nm. Analysis of the size and excitation wavelength dependent hot electron transfer QEs suggests they contain contributions of interband absorption, indirect plasmon-induced hot electron transfer (PHET), and direct plasmon-induced interfacial charge transfer transition (PICTT) pathways, and QEs of all three pathways increase at smaller Au size. Our result suggests that reducing plasmon particle sizes is a promising approach for efficient plasmonic hot-carrier extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗