Ultrafast and Nanoscale Energy Transduction Mechanisms and Coupled Thermal Transport across Interfaces.

The coupled interactions among the fundamental carriers of charge, heat, and electromagnetic fields at interfaces and boundaries give rise to energetic processes that enable a wide array of technologies. The energy transduction among these coupled carriers results in thermal dissipation at these surfaces, often quantified by the thermal boundary resistance, thus driving the functionalities of the modern nanotechnologies that are continuing to provide transformational benefits in computing, communication, health care, clean energy, power recycling, sensing, and manufacturing, to name a few. It is the purpose of this Review to summarize recent works that have been reported on ultrafast and nanoscale energy transduction and heat transfer mechanisms across interfaces when different thermal carriers couple near or across interfaces. We review coupled heat transfer mechanisms at interfaces of solids, liquids, gasses, and plasmas that drive the resulting interfacial heat transfer and temperature gradients due to energy and momentum coupling among various combinations of electrons, vibrons, photons, polaritons (plasmon polaritons and phonon polaritons), and molecules. These interfacial thermal transport processes with coupled energy carriers involve relatively recent research, and thus, several opportunities exist to further develop these nascent fields, which we comment on throughout the course of this Review.

Electron-phonon relaxation at the Au/WSe2 interface is significantly accelerated by a Ti adhesion layer: time-domain ab initio analysis.

Thermal transport at nanoscale metal-semiconductor interfaces via electron-phonon coupling is crucial for applications of modern microelectronic, electro-optic and thermoelectric devices. To enhance the device performance, the heat flow can be regulated by modifying the interfacial atomic interactions. We use ab initio time-dependent density functional theory combined with non-adiabatic molecular dynamics to study how the hot electron and hole relaxation rates change on incorporating a thin Ti adhesion layer at the Au/WSe2 interface. The excited charge carrier relaxation is much faster in Au/Ti/WSe2 due to the enhanced electron-phonon coupling, rationalized by the following reasons: (1) Ti atoms are lighter than Au, W and Se atoms and move faster. (2) Ti has a significant contribution to the electronic properties in the relevant energy range. (3) Ti interacts strongly with WSe2 and promotes its bond-scissoring which causes Fermi-level pinning, making WSe2 contribute to electronic properties around the Fermi level. The changes in the relaxation rates are more pronounced for excited electrons compared to holes because both relative and absolute Ti contributions to the electronic properties are larger above than below the Fermi level. The results provide guidance for improving the design of novel and robust materials by optimizing the heat dissipation at metal-semiconductor interfaces.

Vacancy-Induced Temperature-Dependent Thermal and Magnetic Properties of Holmium-Substituted Bismuth Ferrite Nanoparticle Compacts.

Multiferroics have gained widespread acceptance for room-temperature applications such as in spintronics, ferroelectric random access memory, and transistors because of their intrinsic magnetic and ferroelectric coupling. However, a comprehensive study, establishing a correlation between the magnetic and thermal transport properties of multiferroics, is still missing from the literature. To fill the void, this work reports the temperature-dependent thermal and magnetic properties of holmium-substituted bismuth ferrite (BiFeO3) and their dependencies on oxygen vacancies and structural modifications. Two distinct magnetic transitions on temperature-dependent magnetic and heat capacity responses are identified. Experimental analysis suggests that the excess of oxygen vacancies shifts the magnetic transition temperature by ∼64 K. The holmium substitution-induced structural modification increases BiFeO3 heat capacity by 30% up to the antiferromagnetic phase transition temperature. Furthermore, an unsaturated heat capacity even at temperatures as high as 850 K is observed and is ascribed to anharmonicity and partial densification of the nanoparticles used during heat capacity measurements. The room-temperature thermal conductivity of BiFeO3 is ∼0.33 ± 0.11 W m-1 K-1 and remains unchanged at high temperatures due to defect scattering from porosities.

Plasma-induced surface cooling.

Plasmas are an indispensable materials engineering tool due to their unique ability to deliver a flux of species and energy to a surface. This energy flux serves to heat the surface out of thermal equilibrium with bulk material, thus enabling local physicochemical processes that can be harnessed for material manipulation. However, to-date, there have been no reports on the direct measurement of the localized, transient thermal response of a material surface exposed to a plasma. Here, we use time-resolved optical thermometry in-situ to show that the energy flux from a pulsed plasma serves to both heat and transiently cool the material surface. To identify potential mechanisms for this 'plasma cooling,' we employ time-resolved plasma diagnostics to correlate the photon and charged particle flux with the thermal response of the material. The results indicate photon-stimulated desorption of adsorbates from the surface is the most likely mechanism responsible for this plasma cooling.

A New Polystyrene-Poly(vinylpyridinium) Ionic Copolymer Dopant for n-Type All-Polymer Thermoelectrics with High and Stable Conductivity Relative to the Seebeck Coefficient giving High Power Factor.

A novel n-type copolymer dopant polystyrene-poly(4-vinyl-N-hexylpyridinium fluoride) (PSpF) with fluoride anions is designed and synthesized by reversible addition-fragmentation chain transfer (RAFT) polymerization. This is thought to be the first polymeric fluoride dopant. Electrical conductivity of 4.2 S cm-1 and high power factor of 67 µW m-1 K-2 are achieved for PSpF-doped polymer films, with a corresponding decrease in thermal conductivity as the PSpF concentration is increased, giving the highest ZT of 0.1. An especially high electrical conductivity of 58 S cm-1 at 88 °C and outstanding thermal stability are recorded. Further, organic transistors of PSpF-doped thin films exhibit high electron mobility and Hall mobility of 0.86 and 1.70 cm2 V-1 s-1 , respectively. The results suggest that polystyrene-poly(vinylpyridinium) salt copolymers with fluoride anions are promising for high-performance n-type all-polymer thermoelectrics. This work provides a new way to realize organic thermoelectrics with high conductivity relative to the Seebeck coefficient, high power factor, thermal stability, and broad processing window.

Observation of solid-state bidirectional thermal conductivity switching in antiferroelectric lead zirconate (PbZrO3).

Materials with tunable thermal properties enable on-demand control of temperature and heat flow, which is an integral component in the development of solid-state refrigeration, energy scavenging, and thermal circuits. Although gap-based and liquid-based thermal switches that work on the basis of mechanical movements have been an effective approach to control the flow of heat in the devices, their complex mechanisms impose considerable costs in latency, expense, and power consumption. As a consequence, materials that have multiple solid-state phases with distinct thermal properties are appealing for thermal management due to their simplicity, fast switching, and compactness. Thus, an ideal thermal switch should operate near or above room temperature, have a simple trigger mechanism, and offer a quick and large on/off switching ratio. In this study, we experimentally demonstrate that manipulating phonon scattering rates can switch the thermal conductivity of antiferroelectric PbZrO3 bidirectionally by -10% and +25% upon applying electrical and thermal excitation, respectively. Our approach takes advantage of two separate phase transformations in PbZrO3 that alter the phonon scattering rate in different manners. In this study, we demonstrate that PbZrO3 can serve as a fast (<1 second), repeatable, simple trigger, and reliable thermal switch with a net switching ratio of nearly 38% from ~1.20 to ~1.65 W m-1 K-1.

Hybridization from Guest-Host Interactions Reduces the Thermal Conductivity of Metal-Organic Frameworks.

We experimentally and theoretically investigate the thermal conductivity and mechanical properties of polycrystalline HKUST-1 metal-organic frameworks (MOFs) infiltrated with three guest molecules: tetracyanoquinodimethane (TCNQ), 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4-TCNQ), and (cyclohexane-1,4-diylidene)dimalononitrile (H4-TCNQ). This allows for modification of the interaction strength between the guest and host, presenting an opportunity to study the fundamental atomic scale mechanisms of how guest molecules impact the thermal conductivity of large unit cell porous crystals. The thermal conductivities of the guest@MOF systems decrease significantly, by on average a factor of 4, for all infiltrated samples as compared to the uninfiltrated, pristine HKUST-1. This reduction in thermal conductivity goes in tandem with an increase in density of 38% and corresponding increase in heat capacity of ∼48%, defying conventional effective medium scaling of thermal properties of porous materials. We explore the origin of this reduction by experimentally investigating the guest molecules' effects on the mechanical properties of the MOF and performing atomistic simulations to elucidate the roles of the mass and bonding environments on thermal conductivity. The reduction in thermal conductivity can be ascribed to an increase in vibrational scattering introduced by extrinsic guest-MOF collisions as well as guest molecule-induced modifications to the intrinsic vibrational structure of the MOF in the form of hybridization of low frequency modes that is concomitant with an enhanced population of localized modes. The concentration of localized modes and resulting reduction in thermal conductivity do not seem to be significantly affected by the mass or bonding strength of the guest species.

Emergent interface vibrational structure of oxide superlattices.

As the length scales of materials decrease, the heterogeneities associated with interfaces become almost as important as the surrounding materials. This has led to extensive studies of emergent electronic and magnetic interface properties in superlattices1-9. However, the interfacial vibrations that affect the phonon-mediated properties, such as thermal conductivity10,11, are measured using macroscopic techniques that lack spatial resolution. Although it is accepted that intrinsic phonons change near boundaries12,13, the physical mechanisms and length scales through which interfacial effects influence materials remain unclear. Here we demonstrate the localized vibrational response of interfaces in strontium titanate-calcium titanate superlattices by combining advanced scanning transmission electron microscopy imaging and spectroscopy, density functional theory calculations and ultrafast optical spectroscopy. Structurally diffuse interfaces that bridge the bounding materials are observed and this local structure creates phonon modes that determine the global response of the superlattice once the spacing of the interfaces approaches the phonon spatial extent. Our results provide direct visualization of the progression of the local atomic structure and interface vibrations as they come to determine the vibrational response of an entire superlattice. Direct observation of such local atomic and vibrational phenomena demonstrates that their spatial extent needs to be quantified to understand macroscopic behaviour. Tailoring interfaces, and knowing their local vibrational response, provides a means of pursuing designer solids with emergent infrared and thermal responses.

Suppressed electronic contribution in thermal conductivity of Ge2Sb2Se4Te.

Integrated nanophotonics is an emerging research direction that has attracted great interests for technologies ranging from classical to quantum computing. One of the key-components in the development of nanophotonic circuits is the phase-change unit that undergoes a solid-state phase transformation upon thermal excitation. The quaternary alloy, Ge2Sb2Se4Te, is one of the most promising material candidates for application in photonic circuits due to its broadband transparency and large optical contrast in the infrared spectrum. Here, we investigate the thermal properties of Ge2Sb2Se4Te and show that upon substituting tellurium with selenium, the thermal transport transitions from an electron dominated to a phonon dominated regime. By implementing an ultrafast mid-infrared pump-probe spectroscopy technique that allows for direct monitoring of electronic and vibrational energy carrier lifetimes in these materials, we find that this reduction in thermal conductivity is a result of a drastic change in electronic lifetimes of Ge2Sb2Se4Te, leading to a transition from an electron-dominated to a phonon-dominated thermal transport mechanism upon selenium substitution. In addition to thermal conductivity measurements, we provide an extensive study on the thermophysical properties of Ge2Sb2Se4Te thin films such as thermal boundary conductance, specific heat, and sound speed from room temperature to 400 °C across varying thicknesses.

Pharmacist Views Regarding the Prescription Opioid Epidemic.

Community pharmacists have significant opportunity to contribute to prevention and treatment of opioid use disorders, but barriers to implementation still exist. Understanding their viewpoints is critical to designing future interventions.To qualitatively explore experiences and beliefs of community pharmacists regarding the misuse of prescription opioids in the United States.The study was part of a larger project that utilized a survey questionnaire to evaluate the relationships between knowledge, attitudes, and practices of community pharmacists in substance use disorders. The survey included an open-ended item on pharmacist views regarding the prescription opioid epidemic. The responses were used for inductive content analysis. Axial coding of themes was conducted to analyze underlying relationships: associations, consequences, intervening relationships, and action strategies regarding a central phenomenon. A model describing pharmacist experiences in the opioid epidemic was conceptualized.The open-ended question resulted in 50 (37.3%) usable responses. Final abstraction resulted in six themes including (1) overprescribing opioids: inappropriate prescribing as a contributor to the epidemic, (2) policy and practice recommendations: potential action strategies against the epidemic, (3) poor prescriber-pharmacist relationship: barrier to addressing the epidemic, (4) negative attitudes: intervening condition affecting roles of the pharmacist, (5) personal experience: facilitator to improve pharmacist roles and (6) decreased access to opioids: consequence of strict prescribing laws.The study identified themes that described pharmacist views, attitudes, barriers, and experiences related to their perceived role in prevention and treatment of opioid use disorders. Future research should consider the implications of the barriers and facilitators identified.

High In-Plane Thermal Conductivity of Aluminum Nitride Thin Films.

High thermal conductivity materials show promise for thermal mitigation and heat removal in devices. However, shrinking the length scales of these materials often leads to significant reductions in thermal conductivities, thus invalidating their applicability to functional devices. In this work, we report on high in-plane thermal conductivities of 3.05, 3.75, and 6 µm thick aluminum nitride (AlN) films measured via steady-state thermoreflectance. At room temperature, the AlN films possess an in-plane thermal conductivity of ∼260 ± 40 W m-1 K-1, one of the highest reported to date for any thin film material of equivalent thickness. At low temperatures, the in-plane thermal conductivities of the AlN films surpass even those of diamond thin films. Phonon-phonon scattering drives the in-plane thermal transport of these AlN thin films, leading to an increase in thermal conductivity as temperature decreases. This is opposite of what is observed in traditional high thermal conductivity thin films, where boundaries and defects that arise from film growth cause a thermal conductivity reduction with decreasing temperature. This study provides insight into the interplay among boundary, defect, and phonon-phonon scattering that drives the high in-plane thermal conductivity of the AlN thin films and demonstrates that these AlN films are promising materials for heat spreaders in electronic devices.

The relationship between knowledge, attitudes, and practices of community pharmacists regarding persons with substance use disorders.

Background: Community pharmacists can play a meaningful role in identification and treatment of substance use disorders (SUD). However, inadequate disease knowledge and negative attitudes are known barriers. The relationship between knowledge, attitudes, and practice of pharmacists regarding persons with SUD has not been evaluated comprehensively in the United States. The objective of the study was to assess knowledge of community pharmacists regarding medications for SUD and evaluate their attitudes, levels of stigma, and clinical practices in SUD. Methods: A questionnaire was developed to assess practices, knowledge, screening services, and attitudes toward harm reduction strategies and treatment. A standardized measure of stigma was included along with demographics. A cross-sectional electronic survey was conducted in Pennsylvania, Ohio, and West Virginia among a non-probability sample of community pharmacists working for a retail pharmacy chain (n = 910) and a local alumni network (n = 50). Scores were calculated for each factor and descriptive analyses, mean differences (t-tests and ANOVA), correlations with demographics and practice characteristics were performed. Linear and ordinal regressions were utilized to predict knowledge, practice, screening, and stigma scores. Results: A total of 134 responses (response rate 13.9%) were collected. On average, the pharmacists were 38 years old, had worked for 15 years, primarily full-time with practice locations in suburban settings. Only 53% reported they received SUD education in pharmacy school. Pharmacists received a mean score of 5.5 and 3.5 out of eight and seven on knowledge and practice scales, respectively. Pharmacists overall had slightly stigmatizing and negative attitudes, with higher stigma significantly related to performing lesser services and considering screenings as important. Number of years worked significantly predicted knowledge and screening. Conclusion: Relationships between knowledge, attitudes, and practices indicate a need for experiential education that includes psychosocial aspects of care with increased opportunities for practice.

Long-lived modulation of plasmonic absorption by ballistic thermal injection.

Light-matter interactions that induce charge and energy transfer across interfaces form the foundation for photocatalysis1,2, energy harvesting3 and photodetection4, among other technologies. One of the most common mechanisms associated with these processes relies on carrier injection. However, the exact role of the energy transport associated with this hot-electron injection remains unclear. Plasmon-assisted photocatalytic efficiencies can improve when intermediate insulation layers are used to inhibit the charge transfer5,6 or when off-resonance excitations are employed7, which suggests that additional energy transport and thermal effects could play an explicit role even if the charge transfer is inhibited8. This provides an additional interfacial mechanism for the catalytic and plasmonic enhancement at interfaces that moves beyond the traditionally assumed physical charge injection9-12. In this work, we report on a series of ultrafast plasmonic measurements that provide a direct measure of electronic distributions, both spatially and temporally, after the optical excitation of a metal/semiconductor heterostructure. We explicitly demonstrate that in cases of strong non-equilibrium, a novel energy transduction mechanism arises at the metal/semiconductor interface. We find that hot electrons in the metal contact transfer their energy to pre-existing free electrons in the semiconductor, without an equivalent spatiotemporal transfer of charge. Further, we demonstrate that this ballistic thermal injection mechanism can be utilized as a unique means to modulate plasmonic interactions. These experimental results are well-supported by both rigorous multilayer optical modelling and first-principle ab initio calculations.

Bulk-like Intrinsic Phonon Thermal Conductivity of Micrometer-Thick AlN Films.

Aluminum nitride (AlN) has garnered much attention due to its intrinsically high thermal conductivity. However, engineering thin films of AlN with these high thermal conductivities can be challenging due to vacancies and defects that can form during the synthesis. In this work, we report on the cross-plane thermal conductivity of ultra-high-purity single-crystal AlN films with different thicknesses (∼3-22 µm) via time-domain thermoreflectance (TDTR) and steady-state thermoreflectance (SSTR) from 80 to 500 K. At room temperature, we report a thermal conductivity of ∼320 ± 42 W m-1 K-1, surpassing the values of prior measurements on AlN thin films and one of the highest cross-plane thermal conductivities of any material for films with equivalent thicknesses, surpassed only by diamond. By conducting first-principles calculations, we show that the thermal conductivity measurements on our thin films in the 250-500 K temperature range agree well with the predicted values for the bulk thermal conductivity of pure single-crystal AlN. Thus, our results demonstrate the viability of high-quality AlN films as promising candidates for the high-thermal-conductivity layers in high-power microelectronic devices. Our results also provide insight into the intrinsic thermal conductivity of thin films and the nature of phonon-boundary scattering in single-crystal epitaxially grown AlN thin films. The measured thermal conductivities in high-quality AlN thin films are found to be constant and similar to bulk AlN, regardless of the thermal penetration depth, film thickness, or laser spot size, even when these characteristic length scales are less than the mean free paths of a considerable portion of thermal phonons. Collectively, our data suggest that the intrinsic thermal conductivity of thin films with thicknesses less than the thermal phonon mean free paths is the same as bulk so long as the thermal conductivity of the film is sampled independent of the film/substrate interface.

Control of Charge Carrier Dynamics in Plasmonic Au Films by TiOx Substrate Stoichiometry.

Plasmonic excitations in noble metals have many fascinating properties and give rise to a broad range of applications. We demonstrate, using nonadiabatic molecular dynamics combined with time-domain density functional theory, that the chemical composition and stoichiometry of substrates can have a strong influence on charge dynamics. By changing oxygen content in TiO2, including stoichiometric, oxygen rich, and oxygen poor phases, and Ti metal, one can alter lifetimes of charge carriers in Au by a factor of 5 and control the ratio of electron-to-hole relaxation rates by a factor of 10. Remarkably, a thin TiOx substrate greatly alters charge carrier properties in much thicker Au films. Such large variations stem from the fact that the Ti and O atoms are much lighter than Au, and their vibrations are much faster at dissipating the energy. The control over a particular charge carrier and an energy range depends on the Au and TiOx level alignment, and the interfacial interaction strength. These factors are easily influenced by the TiOx stoichiometry. In particular, oxygen rich and poor TiO2 can be used to control holes and electrons, respectively, while metallic Ti affects both charge carriers. The detailed atomistic analysis of the interfacial and electron-vibrational interactions generates the fundamental understanding of the properties of plasmonic materials needed to design photovoltaic, photocatalytic, optoelectronic, sensing, nanomedical, and other devices.

Thin Ti adhesion layer breaks bottleneck to hot hole relaxation in Au films.

Slow relaxation of highly excited (hot) charge carriers can be used to increase efficiencies of solar cells and related devices as it allows hot carriers to be extracted and utilized before they relax and lose energy. Using a combination of real-time density functional theory and nonadiabatic molecular dynamics, we demonstrate that nonradiative relaxation of excited holes in an Au film slows down 30-fold as holes relax across the energy range -2 to -1.5 eV below the Fermi level. This effect arises due to sharp decreases in density of states (DOS) and reduced hole-phonon coupling in this energy range. Furthermore, to improve adhesion, a thin film of transition metal, such as Ti, is often inserted between the noble metal layer and its underlying substrate; we demonstrate that this adhesion layer completely eliminates the hot-hole bottleneck because it significantly, 7-fold per atom, increases the DOS in the critical energy region between -1.5 eV and the Fermi level, and because Ti atoms are 4-times lighter than Au atoms, high frequency phonons are introduced and increase the charge-phonon coupling. The detailed ab initio analysis of the charge-phonon scattering emphasizes the nonequilibrium nature of the relaxation processes and provides important insights into the energy flow in metal films. The study suggests that energy losses to heat can be greatly reduced by judicious selection of adhesion layers that do not involve light atoms and have relatively low DOS in the relevant energy range. Inversely, narrow Ti adhesion layers assist heat dissipation needed in electronics applications.

Nanoscale Wetting and Energy Transmission at Solid/Liquid Interfaces.

Understanding the effects and limitations of solid/liquid interfaces on energy transport is crucial to applications ranging from nanoscale thermal engineering to chemical synthesis. Until now, the majority of experimental evidence regarding solid/liquid interactions has been limited to macroscale observations and experiments. The lack of experimental works exploring nanoscale solid/liquid interactions has been accentuated as the body of knowledge from theory and simulations at these scales has exploded in recent years. In this study, we expand on current nanoscale thermal measurement techniques in order to more fully understand solid/liquid interfacial energy transport. We use thermal ablation threshold measurements on thick Au films in various liquids as a metric to describe thermal transport at the Au/liquid interface. Furthermore, using ultrafast pump-probe experiments, we gain insight into this transport through picosecond ultrasonic coupling at solid/liquid interfaces with known macroscopic observations. We find significant variations in both the ablation threshold and the damping of the acoustic modes within the Au films depending on nanoscopic interactions at the solid/liquid interface rather than typical macroscale metrics such as acoustic mismatch, measured contact angle, and work of adhesion.

Large tunability in the mechanical and thermal properties of carbon nanotube-fullerene hierarchical monoliths.

Carbon based materials have attracted much attention as building blocks in technologically relevant nanocomposites due to their unique chemical and physical properties. Here, we propose a new class of hierarchical carbon based nano-truss structures consisting of fullerene joints attached with carbon nanotubes as the truss forming a three-dimensional network. Atomistic molecular dynamics simulations allow us to systematically demonstrate the ability to simultaneously control the mechanical and thermal properties of these structures, elucidating their unique physical properties. Specifically, we perform uniaxial tensile and compressive loading to show that by controlling the length of the carbon nanotube trusses, the mechanical properties can be tuned over a large range. Furthermore, we utilize the Green-Kubo method under the equilibrium molecular dynamics simulations framework to show that the thermal conductivities of these structures can be manipulated by varying the densities of the overall structures. This work provides a computational framework guiding future research on the manipulation of the fundamental physical properties in these organic-based hierarchical structures composed of carbon nanotubes and fullerenes as building blocks.

Tunable thermal transport and reversible thermal conductivity switching in topologically networked bio-inspired materials.

The dynamic control of thermal transport properties in solids must contend with the fact that phonons are inherently broadband. Thus, efforts to create reversible thermal conductivity switches have resulted in only modest on/off ratios, since only a relatively narrow portion of the phononic spectrum is impacted. Here, we report on the ability to modulate the thermal conductivity of topologically networked materials by nearly a factor of four following hydration, through manipulation of the displacement amplitude of atomic vibrations. By varying the network topology, or crosslinked structure, of squid ring teeth-based bio-polymers through tandem-repetition of DNA sequences, we show that this thermal switching ratio can be directly programmed. This on/off ratio in thermal conductivity switching is over a factor of three larger than the current state-of-the-art thermal switch, offering the possibility of engineering thermally conductive biological materials with dynamic responsivity to heat.

The Association of Gabapentin Use and Dose With Substance Use Disorders Prior to Inpatient Mental Health Treatment: A Cross-Sectional Study.

OBJECTIVE: To investigate the relationship between gabapentin use and dose with substance use disorders (SUDs) prior to inpatient mental health treatment. METHODS: A cross-sectional study was performed in current gabapentin users admitted to inpatient psychiatry services from December 2015 through January 2017 in a large urban teaching hospital. The primary analysis examined rates and doses of gabapentin use in relation to SUD. A multinomial logistic regression was performed to assess a predictive model for SUD in gabapentin users. The secondary analysis examined trends of off-label gabapentin use. RESULTS: Of 1,483 admissions to inpatient psychiatry services, 345 subjects (23.1%) were prescribed gabapentin as an outpatient prior to admission. Current SUD was identified in 88.1% of the sample, with 65.2% identified as polysubstance positive. Mean daily doses of gabapentin were higher in subjects with positive SUD than in those with no history of SUD. Gabapentin doses ≥ 1,800 mg/d were associated with opiate misuse (P < .001), need for detoxification (P = .004), and positive hepatitis C status (P = .001). Multinomial linear regression revealed that use of gabapentin doses ≥ 1,800 mg/d was predictive of opiate misuse and positive hepatitis C status, with 68.7% positive predictive value. CONCLUSION: High-dose gabapentin use can be predictive of opiate misuse disorder. Requests for high-dose gabapentin from patients may signal potential opioid misuse.