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Materials

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Displaying 526 - 550 of 2328

Elucidating Cathode Degradation Mechanisms in NMC811/Graphite Cells Under Fast Charge Rates Using Operando Synchrotron Characterization

February 17, 2022
Author(s)
Cherno Jaye, Daniel A. Fischer, Calvin Quilty, Patrick West, Garrett Wheeler, Lisa Housel, Christoph Kern, Killian Tallman, Lu Ma, Steven Ehrlich, Kenneth Takeuchi, David Bock, Amy Marschilok, Esther Takeuchi
Li-ion batteries capable of extreme fast charging (XFC) are in demand to facilitate widespread EV adoption. While the impact of fast charge on the negative electrode has been studied, degradation of state-of-the-art LiNi0.8Mn0.1Co0.1O2 (NMC811) under XFC

Probing the non-classical dihydrogen ligand in OsClH3(PPh3)3 using X-ray and neutron diffraction, inelastic neutron scattering, and theoretical calculations

February 15, 2022
Author(s)
Carly Carter, Ryan Klein, Wei Zhou, Terrence J. Udovic, Craig Brown, Ting-Bin Wen, Thomas Cundari, Muhammed Yousufuddin
: Dihydrogen ligation to metal centers results in a wide range of metal-hydrogen interactions. Compounds containing non-classical dihydrogen ligands in which the H–H contacts are significantly longer than the 0.74 Å distance found in solid H2 are

A method to quantify composition, purity, and cross-link density of the polyamide active layer in reverse osmosis composite membranes using 13C cross-polarization magic angle spinning nuclear magnetic resonance spectroscopy

February 12, 2022
Author(s)
Ryan Nieuwendaal, Christopher Stafford, Jeff Wilbur
A method for harvesting and purifying the thin polyamide (PA) active layer from thin-film composite (TFC) reverse osmosis (RO) membranes was developed, enabling quantitative nuclear magnetic resonance (NMR) measurements of the composition and cross-linking

Intermediate spin pair relaxation through modulation of isotropic hyperfine interaction in frequency-swept spin-dependent recombination in 4H-SiC

February 7, 2022
Author(s)
James Ashton, Brian Manning, Stephen Moxim, Fedor Sharov, Patrick Lenahan, Jason Ryan
Electrically detected magnetic resonance (EDMR) measurements have been extended to sub-mT measurements through utilization of frequency sweeping of the oscillating magnetic field, where conventional electron paramagnetic resonance-based measurements

Detection of individual spin species via frequency-modulated charge pumping

February 2, 2022
Author(s)
James Ashton, Mark Anders, Jason Ryan
We utilize the recently developed frequency-modulated charge pumping technique to detect a single charge per cycle, which strongly suggests a single Si/SiO2 interface trap. This demonstration in sub-micron MOSFETs, in which scaling of the gate oxide yields

Dynamically Preferred State with Strong Electronic Fluctuations from Electrochemical Synthesis of Sodium Manganate

February 2, 2022
Author(s)
Xi Chen, Yichao Wang, Yiping Wang, Rebecca Dally, Kamila Wiaderek, Tianyu Qiao, Jue Liu, Enyuan Hu, Kenneth Burch, Jeffrey W. Lynn, Xin Li
Electrochemical (de-)intercalation is a delicate method to precisely control the alkaline ion composition in alkaline transition metal oxides. Due to the interactions among alkaline ions, and with metal oxide layers, alkaline and transition metal charge

Neutron vibrational spectroscopic evidence for short H???H contacts in the RNiInH1.4; 1.6 (R = Ce, La) metal hydride

February 1, 2022
Author(s)
Ryan Klein, Rafael Balderas-Xicohtencatl, Jan Petter Maehlen, Terrence J. Udovic, Craig Brown, Robert Delaplane, Yongqiang Cheng, Roman Denys, Anibal Ramirez Cuesta, Volodymyr Yartys
Intermetallic metal hydrides are critical materials for hydrogen storage applications, however, metal hydrides with greater storage capacities are still needed. Within metal hydrides, the volumetric storage capacities are limited by the number of hydrogen

FAIR Digital Object Demonstrators 2021

January 18, 2022
Author(s)
Peter Wittenburg, Ivonne Anders, Christophe Blanchi, Merret Buurman, Carole Goble, Jonas Grieb, Alex Hardisty, Sharif Islam, Thomas Jejkal, Tibor Kalman, Christine Kirkpatrick, Laurence Lannom, Thomas Lauer, Giridhar Manepalli, Karsten Peters-von Gehlen, Andreas Pfeil, Robert Quick, Mark van de Sanden, Ulrich Schwardmann, Stian Soiland-Reyes, Rainer Stotzka, Zachary Trautt, Dieter Van Uytvanck, Claus Weiland, Philipp Wieder
This paper gives a summary of implementation activities in the realm of FAIR Digital Objects (FDO). It gives an idea which software components are robust and used for many years, which components are comparatively new and are being tested out in pilot

Colloid-Like Solution Behavior of Computationally Designed Coiled Coil Bundlemers

January 15, 2022
Author(s)
Nairiti J. Sinha, Rui Guo, Rajkumar Misra, Jeffrey Fagan, Antonio Faraone, Christopher J. Kloxin, Jeffery G. Saven, Grethe V. Jensen, Darrin J. Pochan
The use of colloidal theory for describing protein-protein interactions is a topic of ongoing debate in the biophysical community. This contention stems from the unavailability of synthetic protein-like model particles that are amenable to systematic

Core-hole potentials and related effects

January 12, 2022
Author(s)
Eric L. Shirley, Lars G. Pettersson, D. Prendergast
We consider the constrained-occupancy and (linear-response) self-consistent-field methods for screening of core-hole potentials that affect core excitation near-edge spectra. The methods are not exact, but each has distinct advantages and limitations. The

A Fundamental Equation of State for Vinyl Chloride

January 10, 2022
Author(s)
Monika Thol, Florian Fenkl, Eric W. Lemmon
A fundamental equation of state in terms of the Helmholtz energy is presented for vinyl chloride. Due to its fundamental nature, it can be used to consistently calculate all thermodynamic state properties in the fluid region. Based on the underlying

NIST Outdoor Structure Separation Experiments (NOSSE): Preliminary Test Plan

January 10, 2022
Author(s)
Alexander Maranghides, Shonali Nazare, Eric Link, Matthew Bundy, Artur A. Chernovsky, Erik L. Johnsson, Kathryn Butler, Steven Hawks, Frank Bigelow, William (Ruddy) Mell, Anthony Bova, Derek McNamara, Tom MIlac, Daniel Gorham, Faraz Hedayati, Bob Raymer, Frank Frievalt, William Walton
The Structure Separation Project is a multi-level project to assess structure-to-structure fire spread in Wildland-Urban Interface (WUI) communities. The project is divided into three phases with each phase assessing radiant and convective heat exposures

Advanced characterization of magnetization dynamics in iron oxide magnetic nanoparticle tracers

January 5, 2022
Author(s)
Thinh Bui, Adam Biacchi, Brianna Bosch Correa, Cindi L. Dennis, Weston L. Tew, Angela R. Hight Walker, Solomon I. Woods
Characterization of the magnetization dynamics of single-domain magnetic nanoparticles (MNPs) is important for magnetic particle imaging (MPI), magnetic resonance imaging (MRI), and emerging medical diagnostic/therapeutic technologies. Depending on
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