Li Shi

Two-Dimensional Phonon Transport in Supported Graphene

Heat Flow in Graphene Unsupported graphene sheets show exceptional thermal transport properties, but are these properties maintained when a graphene sheet is in contact with a substrate? Seol et al. (p. 213; see the Perspective by Prasher) measured the thermal conductivity of graphene supported on silicon dioxide and found that, while the conductivity was considerably lower than that of free-standing graphene, it was still greater than that of metals such as copper. A theoretical model suggested that the out-of-plane flexing vibrations of the graphene play a key role in thermal transport. Thus, graphene may help in applications such as conducting heat away from electronic circuits. The thermal conductivity of graphene supported on silicon dioxide remains high, despite phonon scattering by the substrate. The reported thermal conductivity (κ) of suspended graphene, 3000 to 5000 watts per meter per kelvin, exceeds that of diamond and graphite. Thus, graphene can be useful in solving heat dissipation problems such as those in nanoelectronics. However, contact with a substrate could affect the thermal transport properties of graphene. Here, we show experimentally that κ of monolayer graphene exfoliated on a silicon dioxide support is still as high as about 600 watts per meter per kelvin near room temperature, exceeding those of metals such as copper. It is lower than that of suspended graphene because of phonons leaking across the graphene-support interface and strong interface-scattering of flexural modes, which make a large contribution to κ in suspended graphene according to a theoretical calculation.

Significant Electronic Thermal Transport in the Conducting Polymer Poly(3,4‐ethylenedioxythiophene)

Suspended microdevices are employed to measure the in-plane electrical conductivity, thermal conductivity, and Seebeck coefficient of suspended poly(3,4-ethylenedioxythiophene) (PEDOT) thin films. The measured thermal conductivity is higher than previously reported for PEDOT and generally increases with the electrical conductivity. The increase exceeds that predicted by the Wiedemann-Franz law for metals and can be explained by significant electronic thermal transport in PEDOT.

Janus Monolayer Transition-Metal Dichalcogenides

The crystal configuration of sandwiched S-Mo-Se structure (Janus SMoSe) at the monolayer limit has been synthesized and carefully characterized in this work. By controlled sulfurization of monolayer MoSe2, the top layer of selenium atoms is substituted by sulfur atoms, while the bottom selenium layer remains intact. The structure of this material is systematically investigated by Raman, photoluminescence, transmission electron microscopy, and X-ray photoelectron spectroscopy and confirmed by time-of-flight secondary ion mass spectrometry. Density functional theory (DFT) calculations are performed to better understand the Raman vibration modes and electronic structures of the Janus SMoSe monolayer, which are found to correlate well with corresponding experimental results. Finally, high basal plane hydrogen evolution reaction activity is discovered for the Janus monolayer, and DFT calculation implies that the activity originates from the synergistic effect of the intrinsic defects and structural strain inherent in the Janus structure.

Temperature and Thickness Dependences of the Anisotropic In‐Plane Thermal Conductivity of Black Phosphorus

The anisotropic basal-plane thermal conductivities of thin black phosphorus obtained from a new four-probe measurement exhibit much higher peak values at low temperatures than previous reports. First principles calculations reveal the important role of crystal defects and weak thickness dependence that is opposite to the case of graphene and graphite due to the absence of reflection symmetry in puckered phosphorene.

Gate-tunable and thickness-dependent electronic and thermoelectric transport in few-layer MoS2

Over the past few years, there has been a growing interest in layered transition metal dichalcogenides (TMD) such as molybdenum disulfide (MoS2). Most studies so far have focused on the electronic and optoelectronic properties of single-layer MoS2, whose band structure features a direct bandgap, in sharp contrast to the indirect bandgap of thicker MoS2. In this paper, we present a systematic study of the thickness-dependent electrical and thermoelectric properties of few-layer MoS2. We observe that the electrical conductivity () increases as we reduce the thickness of MoS2 and peaks at about two layers, with six-time larger conductivity than our thickest sample (23-layer MoS2). Using a back-gate voltage, we modulate the Fermi energy () of the sample where an increase in the Seebeck coefficient () is observed with decreasing gate voltage () towards the subthreshold (OFF state) of the device, reaching as large as in a four-layer MoS2. While previous reports have focused on a single-layer MoS2 and measured Seebeck coefficient in the OFF state, which has vanishing electrical conductivity and thermoelectric power factor (), we show that MoS2-based devices in their ON state can have as large as in the two-layer sample. The increases with decreasing thickness then drops abruptly from double-layer to single-layer MoS2, a feature we suggest as due to a change in the energy dependence of the electron mean-free-path according to our theoretical calculation. Moreover, we show that care must be taken in thermoelectric measurements in the OFF state to avoid obtaining erroneously large Seebeck coefficients when the channel resistance is very high. Our study paves the way towards a more comprehensive examination of the thermoelectric performance of two-dimensional (2D) semiconductors.

Magnons and Phonons Optically Driven out of Local Equilibrium in a Magnetic Insulator

The coupling and possible nonequilibrium between magnons and other energy carriers have been used to explain several recently discovered thermally driven spin transport and energy conversion phenomena. Here, we report experiments in which local nonequilibrium between magnons and phonons in a single crystalline bulk magnetic insulator, Y_{3}Fe_{5}O_{12}, has been created optically within a focused laser spot and probed directly via micro-Brillouin light scattering. Through analyzing the deviation in the magnon number density from the local equilibrium value, we obtain the diffusion length of thermal magnons. By explicitly establishing and observing local nonequilibrium between magnons and phonons, our studies represent an important step toward a quantitative understanding of various spin-heat coupling phenomena.

Numerical Optimization and Power Output Control of a Hot Thermal Battery with Phase Change Material

Numerical simulations were conducted to investigate the release of heat from a thermal storage unit, which we refer to as a hot thermal battery. The battery is composed of a hexagonal arrangement of parallel tubes through which a heat absorbing fluid flows, surrounded by phase change material (PCM) that fills spaces between adjacent tubes. The simulations implemented, aimed to optimize the battery such that it meets a total volume constraint while ensuring a critical power output before the phase change fronts of the PCM surrounding two adjacent heat transfer tubes merge—indicating the PCM is completely solidified—after which, only sensible heat can be released by the battery. It was found that the PCM latent heat has negligible impact on the optimal heat exchanger (HEx) design. In comparison, increasing either the flow velocity of the heat transfer fluid in the tubes or PCM thermal conductivity can significantly reduce the needed volume of heat exchanger. Additionally, a novel closed loop control modeling approach is proposed to dynamically tune the heat transfer fluid flow rate such that the thermal battery yields a constant power output. The flow tuning results indicate the optimal dynamic HTF velocity curve shape, obtained from closed-loop method, is unique and this optimal flow velocity is dependent on the location of the phase change front. Numerical results were also compared against hot battery discharge experiments, using both constant and dynamically tuned flow rates, indicating a good agreement for both cases.

Unique size and shape-dependent uptake behaviors of non-spherical nanoparticles by endothelial cells due to a shearing flow.

&NA; The size and shape of nanoparticle (NP) drug carriers can potentially be manipulated to increase the drug delivery efficacy because of their effects on particle margination and interactions with various cells in vivo. It is found in this work that the presence of a physiologically relevant shearing flow rate results in very different size and shape‐dependent uptake behavior of negatively charged, non‐spherical polyethylene glycol (PEG) hydrogel NPs by endothelial cells (ECs) cultured in a microchannel compared to uptake of either identical NPs in static culture or spherical particles in a shear flow. In particular, larger rod‐ and disk‐shaped PEG NPs show more uptake than smaller ones, opposite to the size effect observed for spherical particles in a flow. Moreover, the trend observed in this dynamic uptake experiment also differs from that reported for uptake of similar PEG NPs by ECs in a static culture, where the smaller disks were found to be uptaken the most. These differences suggest that the increasing rotational and tumbling motions of larger‐size non‐spherical NPs in the flow play a dominant role in NP margination and cell interaction, compared to Brownian motion, gravity, and cell membrane deformation energy. These findings suggest that the coupling between NP geometry and shear flow is an important factor that needs to be accounted for in the design of the size and shape of nanocarriers. Graphical abstract Figure. No caption available.

Unusual high thermal conductivity in boron arsenide bulk crystals

Moving the heat aside with BAs Thermal management becomes increasingly important as we decrease device size and increase computing power. Engineering materials with high thermal conductivity, such as boron arsenide (BAs), is hard because it is essential to avoid defects and impurities during synthesis, which would stop heat flow. Three different research groups have synthesized BAs with a thermal conductivity around 1000 watts per meter-kelvin: Kang et al., Li et al., and Tian et al. succeeded in synthesizing high-purity BAs with conductivities half that of diamond but more than double that of conventional metals (see the Perspective by Dames). The advance validates the search for high-thermal-conductivity materials and provides a new material that may be more easily integrated into semiconducting devices. Science, this issue p. 575, p. 579, p. 582; see also p. 549 Boron arsenide has an ultrahigh thermal conductivity, making it competitive with diamond for thermal management applications. Conventional theory predicts that ultrahigh lattice thermal conductivity can only occur in crystals composed of strongly bonded light elements, and that it is limited by anharmonic three-phonon processes. We report experimental evidence that departs from these long-held criteria. We measured a local room-temperature thermal conductivity exceeding 1000 watts per meter-kelvin and an average bulk value reaching 900 watts per meter-kelvin in bulk boron arsenide (BAs) crystals, where boron and arsenic are light and heavy elements, respectively. The high values are consistent with a proposal for phonon-band engineering and can only be explained by higher-order phonon processes. These findings yield insight into the physics of heat conduction in solids and show BAs to be the only known semiconductor with ultrahigh thermal conductivity.

Effects of basal-plane thermal conductivity and interface thermal conductance on the hot spot temperature in graphene electronic devices

Electrostatic force microscopy and scanning thermal microscopy are employed to investigate the electric transport and localized heating around defects introduced during transfer of graphene grown by chemical vapor deposition to an oxidized Si substrate. Numerical and analytical models are developed to explain the results based on the reported basal-plane thermal conductivity, κ, and interfacial thermal conductance, G, of graphene and to investigate their effects on the peak temperature. Irrespective of the κ values, increasing G beyond 4u2009×u2009107u2009Wu2009m−2u2009K−1 can reduce the peak temperature effectively for graphene devices made on sub-10u2009nm thick gate dielectric, but not for the measured device made on 300-nm-thick oxide dielectric, which yields a cross-plane thermal conductance (Gox) much smaller than the typical G of graphene. In contrast, for typical G values reported for graphene, increasing κ from 300u2009Wu2009m−1u2009K−1 toward 3000u2009Wu2009m−1u2009K−1 is effective in reducing the hot spot temperature for the 300-nm-thick oxi...