ORCID Profile
0000-0002-8445-9649
Current Organisation
Sandia National Laboratories California
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Publisher: American Chemical Society (ACS)
Date: 20-02-2018
DOI: 10.1021/ACS.INORGCHEM.7B02984
Abstract: Perovskite-type metal oxides are being used in a wide range of technologies, including fuel cells, batteries, electrolyzers, dielectric capacitors, and sensors. One of their remarkable structural properties is cationic ordering in A or B sites, which affects electrical transport properties under different gaseous atmospheres, and chemical stability under CO
Publisher: Office of Scientific and Technical Information (OSTI)
Date: 2020
DOI: 10.2172/1784174
Publisher: American Chemical Society (ACS)
Date: 11-08-2017
Publisher: Office of Scientific and Technical Information (OSTI)
Date: 12-2019
DOI: 10.2172/1784183
Publisher: American Chemical Society (ACS)
Date: 09-02-2018
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2TA02725A
Abstract: In the present work, we develop a comprehensive functional phase diagram for the Ba–Ca–Ta–O quaternary system Ba 3 Ca 1+ x Ta 2− x O 9−3 x /2 (0 ≤ x ≤ 0.36) between 1000 and 1550 °C, coupled with theoretical calculations of the cationic ordering in supercells.
Publisher: Springer Science and Business Media LLC
Date: 20-04-2021
DOI: 10.1038/S41467-021-22527-Z
Abstract: The dependence on lithium-ion batteries leads to a pressing demand for advanced cathode materials. We demonstrate a new concept of layered-rocksalt intergrown structure that harnesses the combined figures of merit from each phase, including high capacity of layered and rocksalt phases, good kinetics of layered oxide and structural advantage of rocksalt. Based on this concept, lithium nickel ruthenium oxide of a main layered structure ( R $$\\bar{3}$$ 3 ¯ m ) with intergrown rocksalt ( Fm $$\\bar{3}$$ 3 ¯ m ) is developed, which delivers a high capacity with good rate performance. The interwoven rocksalt structure successfully prevents the anisotropic structural change that is typical for layered oxide, enabling a nearly zero-strain operation upon high-capacity cycling. Furthermore, a design principle is successfully extrapolated and experimentally verified in a series of compositions. Here, we show the success of such layered-rocksalt intergrown structure exemplifies a new battery electrode design concept and opens up a vast space of compositions to develop high-performance intergrown cathode materials.
Publisher: American Physical Society (APS)
Date: 30-01-2020
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C5CC03070F
Abstract: Herein, we report the synthesis, structure, and electrochemistry of the first Na + -ion cathode with two distinct types of polyanions: Fe 3 P 5 SiO 19 .
Publisher: American Chemical Society (ACS)
Date: 06-11-2015
Publisher: Springer Science and Business Media LLC
Date: 07-2010
DOI: 10.1557/MRS2010.601
Abstract: X-ray and neutron diffraction have been two key techniques for structural characterization of materials since their inception. If single crystals of the materials of interest cannot be synthesized, one has to resort to powder diffraction. This results in the loss of three-dimensional orientation information of the crystal, and one has to contend with the one-dimensional information that is inherent to powder diffraction, making it harder to analyze the data. The structural study of contemporary materials and their remarkable properties is a challenging problem, particularly when properties of interest result from interplay of multiple degrees of freedom. Very often these are associated with structural defects or relate to different length scales in a material. The signature of the defect-related phenomenon is visible as diffuse scattering in the diffraction pattern, and the signals associated with diffuse scattering are orders of magnitude smaller than Bragg scattering. Given these limitations, it is crucial to have high-resolution and high-intensity data along with the ability to carry out theoretical interpretation that goes beyond periodic lattice formalism of crystallography. Great advances have been achieved due to the advent of synchrotron and neutron sources, along with the availability of high-speed computational algorithms allowing materials scientists to work with a very small amount of s le (both single crystal and powder) and analyze vast amounts of data to unravel detailed structural descriptions that were not previously possible. This article presents some of these great advances in using scattering probes for materials characterization.
Publisher: American Chemical Society (ACS)
Date: 08-03-2016
Publisher: Elsevier BV
Date: 03-2016
Publisher: AIP Publishing
Date: 09-2018
DOI: 10.1063/1.5033906
Abstract: The suite of neutron powder diffractometers at Oak Ridge National Laboratory (ORNL) utilizes the distinct characteristics of the Spallation Neutron Source and High Flux Isotope Reactor to enable the measurements of powder s les over an unparalleled regime at a single laboratory. Full refinements over large Q ranges, total scattering methods, fast measurements under changing conditions, and a wide array of s le environments are available. This article provides a brief overview of each powder instrument at ORNL and details the complementarity across the suite. Future directions for the powder suite, including upgrades and new instruments, are also discussed.
Publisher: American Chemical Society (ACS)
Date: 12-02-2016
Location: United States of America
No related grants have been discovered for Ashfia Huq.