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Stable Surfaces That Bind Too Tightly: Can Range-Separated Hybrids or DFT+U Improve Paradoxical Descriptions of Surface Chemistry?
(American Chemical Society (ACS), 2019-08)
Approximate, semilocal density functional theory (DFT) suffers from delocalization error that can lead to a paradoxical model of catalytic surfaces that both overbind adsorbates yet are also too stable. We investigate the ...
Discovery of highly polarizable semiconductors BaZrS3 and Ba3Zr2S7
(American Physical Society (APS), 2020-09-08)
There are few known semiconductors exhibiting both strong optical response and large dielectric polarizability. Inorganic materials with large dielectric polarizability tend to be wide-band gap complex oxides. Semiconductors ...
Methods for estimating supersaturation in antisolvent crystallization systems
(Royal Society of Chemistry (RSC), 2019-08)
The mole fraction and activity coefficient-dependent (MFAD) supersaturation expression is the least-assumptive, practical choice for calculating supersaturation in solvent mixtures. This paper reviews the basic thermodynamic ...
Molten ionic oxides for CO2 capture at medium to high temperatures
(Royal Society of Chemistry (RSC), 2019)
The development of efficient low cost CO2 capture systems is a critical challenge for mitigating climate change while meeting global energy demand. Herein, we demonstrate the first liquid absorbents for CO2 capture at ...
Ultrathin ceramic piezoelectric films via room-temperature electrospray deposition of ZnO nanoparticles for printed GHz devices
(American Chemical Society (ACS), 2019-08-05)
High-frequency devices are key enablers of state-of-the-art electronics used in a wide and diverse range of exciting applications such as inertial navigation, communications, power conversion, medicine, and parallel ...
Precision Delivery of Multiscale Payloads to Tissue‐Specific Targets in Plants
(Wiley, 2020-04-22)
The precise deployment of functional payloads to plant tissues is a new approach to help advance the fundamental understanding of plant biology and accelerate plant engineering. Here, the design of a silk‐based biomaterial ...
Predicting the Thermal Behavior in Functional Textile Fibers Having Embedded Electronics
(Springer Science and Business Media LLC, 2022-09-08)
<jats:title>Abstract</jats:title><jats:p>In this paper, both steady-state and transient thermal simulations were performed on functional fibers having an embedded electronic chip acting as a heat source. Simulations were ...
Ultrafast Graphene Light Emitters
(American Chemical Society, 2018-01-22)
Ultrafast electrically driven nanoscale light sources are critical components in nanophotonics. Compound semiconductor-based light sources for the nanophotonic platforms have been extensively investigated over the past ...
Materials and processing issues in vertical GaN power electronics
(Elsevier BV, 2018-05)
Silicon-based power devices are reaching their fundamental performance limit. The use of wide-bandgap semiconductors with superior material properties over silicon offers the potential for power electronic systems with ...
All-Optical Quantum Sensing of Rotational Brownian Motion of Magnetic Molecules
(American Chemical Society (ACS), 2019-09-24)
Sensing the local environment through the motional response of small molecules lays the foundation of many fundamental technologies. The information on local viscosity, for example, is contained in the random rotational ...