Chemical Sciences Division Publications

Publications

Spontaneous imbibition of water and determination of effective contact angles in the Eagle Ford Shale Formation using neutron imaging

Journal: Spinger Link

Understanding of fundamental processes and prediction of optimal parameters during the horizontal drilling and hydraulic fracturing process results in economically effective improvement of oil and natural gas extraction. Although modern analytical and computational models can capture fracture growth, there is a lack...

Destabilization of Magnetic Order in a Dilute Kitaev Spin Liquid Candidate

Journal: APS Physics

The insulating honeycomb magnet α−RuCl3 exhibits fractionalized excitations that signal its proximity to a Kitaev quantum spin liquid state; however, at T=0 , fragile long-range magnetic order arises from non-Kitaev terms in the Hamiltonian. Spin vacancies in the form of Ir3+ substituted for Ru are found to...

Acid–Base Reactivity of Perovskite Catalysts Probed via Conversion of 2-Propanol over Titanates and Zirconates

Journal: ACS Catalysis

Although perovskite catalysts are well-known for their excellent redox property, their acid–base reactivity remains largely unknown. To explore the potential of perovskites in acid–base catalysis, we made a comprehensive investigation in this work on the acid–base properties and reactivity of a series of selected...

Controlling Reaction Selectivity through the Surface Termination of Perovskite Catalysts

Journal: Wiley Online Library

Although perovskites have been widely used in catalysis, tuning of their surface termination to control reaction selectivity has not been well established. In this study, we employed multiple surface-sensitive techniques to characterize the surface termination (one aspect of surface reconstruction) of SrTiO3 (STO)...

The Kalanchoë genome provides insights into convergent evolution and building blocks of crassulacean acid metabolism

Journal: Nature Communications

Crassulacean acid metabolism (CAM) is a water-use efficient adaptation of photosynthesis that has evolved independently many times in diverse lineages of flowering plants. We hypothesize that convergent evolution of protein sequence and temporal gene expression underpins the independent emergences of CAM from C3...

Direct Neutron Spectroscopy Observation of Cerium Hydride Species on a Cerium Oxide Catalyst

Journal: Journal of the American Chemical Society (JACS)

Ceria has recently shown intriguing hydrogenation reactivity in catalyzing alkyne selectively to alkenes. However, the mechanism of the hydrogenation reaction, especially the activation of H2, remains experimentally elusive. In this work, we report the first direct spectroscopy evidence for the presence of both...

Membrane-Based Gas Separation Accelerated by Hollow Nanosphere Architectures

Journal: Advanced Materials

The coupling of hollow carbon nanospheres with triblock copolymers is a promising strategy to fabricate mixed-matrix membranes. This is because the symmetric microporous shells combine with the hollow space to promote gas transport, and the unique soft–rigid molecular structure of triblock copolymers can accommodate a...

Integrated omics analyses reveal the details of metabolic adaptation of Clostridium thermocellum to lignocellulose-derived growth inhibitors released during the deconstruction of switchgrass

Journal: Biotechnology for Biofuels

Clostridium thermocellum is capable of solubilizing and converting lignocellulosic biomass into ethanol. Although much of the work-to-date has centered on characterizing this microbe’s growth on model cellulosic substrates, such as cellobiose, Avicel, or filter paper, it is vitally important to understand its...

Big Effect of Small Nanoparticles: A Shift in Paradigm for Polymer Nanocomposites

Journal: ACS Nano

Polymer nanocomposites (PNCs) are important materials that are widely used in many current technologies and potentially have broader applications in the future due to their excellent property tunability, light weight, and low cost. However, expanding the limits in property enhancement remains a fundamental scientific...

Processing of Onion-like Carbon for Electrochemical Capacitors

Journal: ECS Journal of Solid State Science and Technology

Multi-shell fullerenes known as onion-like carbon (OLC) are especially attractive in applications relative to energy storage, such as electrochemical capacitors, due to a near-spherical shape of particles, their nanoscale diameters and high conductivity leading to fast rate performance. Because of this, onion-like...

Computational insight into the capacitive performance of graphene edge planes

Journal: Carbon

Recent experiments have shown that electric double-layer capacitors utilizing electrodes consisting of graphene edge plane exhibit higher capacitance than graphene basal plane. However, theoretical understanding of this capacitance enhancement is still limited. Here we applied a self-consistent joint density...

Nano-scale synthesis of the complex silicate minerals forsterite and enstatite

Journal: Journal of Colloid and Interface Science

Olivine is a relatively common family of silicate minerals in many terrestrial and extraterrestrial environments, and is also useful as a refractory ceramic. A capability to synthesize fine particles of olivine will enable additional studies on surface reactivity under geologically relevant conditions. This paper...

CO2 Capture from Ambient Air by Crystallization with a Guanidine Sorbent

Journal: Angewandte Chemie International Edition

Carbon capture and storage is an important strategy for stabilizing the increasing concentration of atmospheric CO2 and the global temperature. A possible approach toward reversing this trend and decreasing the atmospheric CO2 concentration is to remove the CO2 directly from air (direct air capture). Herein we report...

Membrane-Based Gas Separation Accelerated by Hollow Nanosphere Architectures

Journal: Advanced Materials

The coupling of hollow carbon nanospheres with triblock copolymersis a promising strategy to fabricate mixed-matrix membranes. This is because the symmetric microporous shells combine with the hollow space to promote gas transport, and the unique soft–rigid molecular structure of triblock copolymers can accommodate a...

A Novel Electrolyte Salt Additive for Lithium-Ion Batteries with Voltages Greater than 4.7 V

Journal: Advanced Energy Materials

Lithium bis(2-methyl-2-fluoromalonato)borate (LiBMFMB), as an additive for LiNi0.5Mn1.5O4, exhibits improved efficiencies and cycling stability. Cyclic voltammograms indicate the cells with additive form good solid-electrolyte interphases (SEIs) during the first cycle, whereas no additive cell needs more cycles to...

Fast MAS 1H NMR Study of Water Adsorption and Dissociation on the (100) Surface of Ceria Nanocubes: A Fully Hydroxylated, Hydrophobic Ceria Surface

Journal: The Journal of Physical Chemistry C

1H nuclear magnetic resonance (NMR) spectroscopy was used to study hydroxylic surface species on ceria nanocubes, a crystalline, high-surface-area CeO2 that presents mostly (100) facets. Water adsorption and desorption experiments in combination with fast magic angle spinning (MAS, 20–40 kHz) 1H NMR provide high-...

Ion-Gated Gas Separation through Porous Graphene

Journal: Nano Letters

Porous graphene holds great promise as a one-atom-thin, high-permeance membrane for gas separation, but to precisely control the pore size down to 3–5 Å proves challenging. Here we propose an ion-gated graphene membrane comprising a monolayer of ionic liquid-coated porous graphene to dynamically modulate the pore size...

Analysis of gas membrane ultra-high purification of small quantities of mono-isotopic silane

Journal: Journal of Membrane Science

A small quantity of high-value, crude, mono-isotopic silane is a prospective gas for a small-scale, high-recovery, ultra-high membrane purification process. This is an unusual application of gas membrane separation for which we provide a comprehensive analysis of a simple purification model. The goal is to develop...

Surfactant-Assisted Stabilization of Au Colloids on Solids for Heterogeneous Catalysis

Journal: Angewandte Chemie International Edition

The stabilization of surfactant-assisted synthesized colloidal noble metal nanoparticles (NPs, such as Au NPs) on solids is a promising strategy for preparing supported nanocatalysts for heterogeneous catalysis because of their uniform particle sizes, controllable shapes, and tunable compositions. However, surfactant...

An Iterative Phase-Space Explicit Discontinuous Galerkin Method for Stellar Radiative Transfer in Extended Atmospheres

Journal: Journal of Quantitative Spectroscopy and Radiative Transfer

A phase-space discontinuous Galerkin (PSDG) method is presented for the solution of stellar radiative transfer problems. It allows for greater adaptivity than competing methods without sacrificing generality. The method is extensively tested on a spherically symmetric, static, inverse-power-law scattering atmosphere....

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