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Search Publications by: Terrence J Udovic (Assoc)

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Displaying 51 - 75 of 166

Vibrational Properties of b-KSiH 3 and b-RbSiH 3 : A Combined Raman and Inelastic Neutron Scattering Study

February 1, 2017
Author(s)
Janos Mink, Yuan-Chih Lin, Maths Karlsson, Carin Osterberg, Terrence J. Udovic, Henrik Fahlquist, Ulrich Haussermann
The hydrogen storage materials ASiH 3 (A=K, Rb) represent complex metal hydrides built from metal cations and pyramidal SiH 3- ions. At room temperature, SiH 3-moieties are randomly oriented because of dynamical disorder (α-modifications). At temperatures

Understanding Ionic Conductivity Trends in Polyborane Solid Electrolytes from Ab Initio Molecular Dynamics

December 22, 2016
Author(s)
Joel B. Varley, Kyoung Kweon, Prateek Mehta, Patrick Shea, Tae Wook Heo, Terrence J. Udovic, Vitalie Stavila, Brandon C. Wood
Polyborane salts based on B 12H 2- 12, B 10H 2- 10, and their carboborane counterparts CB 11H - 12 - 12 and CB 9H^u- 10 demonstrate extraordinary Li and Na superionic conductivity that have made them attractive as electrolytes in all-solid-state batteries

Development of Potential Organic-Molecule-Based Hydrogen Storage Materials: Converting C-N Bond-Breaking Thermolysis of Guanidine to N-H Bond-Breaking Dehydrogenation

September 8, 2016
Author(s)
Xiuquan Zhou, Wei Zhou, Terrence J. Udovic, Taner N. Yildirim, John J. Rush, Efrain E. Rodriguez, Hui Wu
The small organic molecule guanidine CN 3H 5 can be anionized via a facile reaction with alkali-metal hydrides or amides with the formation of metal guanidinates (MCN 3H 4) and their guanidine adducts. They crystal structures and thermal decomposition

Structural and Dynamical Trends in Alkali-Metal Silanides Characterized by Neutron-Scattering Methods

September 2, 2016
Author(s)
Wan Si NMN Tang, Mirjana NMN Dimitrievska, Jean-Noel Chotard, Wei Zhou, Raphael Janot, Alexander V. Skripov, Terrence J. Udovic
Structural, vibrational, and dynamical properties of the mono- and mixed-alkali silanides (MSiH 3, where M=K, Rb, Cs, K 0.5Rb 0.5Cs 0.5, and Rb 0.5Cs 0.5) were investigated by various neutron experiments, including neutron powder diffraction (NPD), neutron

Stabilizing Superionic-Conducting Structures via Mixed-Anion Solid Solutions of Monocarba-Closo-Borate Salts

September 1, 2016
Author(s)
Wan Si NMN Tang, Koji Yoshida, Alexei V. Soloninin, Roman V. Skoryunov, Olga A. Babanova, Alexander V. Skripov, Mirjana NMN Dimitrievska, Vitalie Stavila, Shin-Ichi Orimo, Terrence J. Udovic
Solid lithium and sodium closo-polyborate-based salts are capable of superionic conductivities surpassing even liquid electrolytes, but often only at above-ambient temperatures where their entropically driven disordered phases become stabilized. Here we

The Low-Temperature Structural Behavior of Sodium 1-Carba-closo-decaborate: NaCB 9 H 10

August 21, 2016
Author(s)
Hui Wu, Wan Si NMN Tang, Wei Zhou, Jacob Daniel Tarver, Vitalie Stavila, Craig Brown, Terrence J. Udovic
Two ordered phases of the novel solid superionic conductor sodium 1-carba-closo-decaborate (NaCB 9H 10) were identified via synchrotron x-ray powder diffraction in combination with first-principles calculations and neutron vibrational spectroscopy. A

Structure-Dependent Vibrational Dynamics in Mg(BH 4 ) 2 Polymorphs Probed with Neutron Vibrational Spectroscopy and First-Principles Calculations

August 19, 2016
Author(s)
Mirjana NMN Dimitrievska, James L. White, Wei Zhou, Vitalie Stavila, Leonard E. Klebanoff, Terrence J. Udovic
The structure-dependent vibrational properties of different Mg(BH 4)d2^ polymorphs (α, β, γ and δ phases) were investigated with a combination of neutron vibrational spectroscopy measurements and density functional theory (DFT) calculations, with emphasis

Stabilizing Lithium and Sodium Fast-Ion Conduction in Solid Polyhedral-Borate Salts at Device-Relevant Temperatures

July 1, 2016
Author(s)
Wan Si NMN Tang, Motoaki Matsuo, Hui Wu, Vitalie Stavila, Atsushi Unemoto, Shin-Ichi Orimo, Terrence J. Udovic
Mechanically milling a variety of lithium and sodium closo-borate compounds enables the room-temperature stabilization of their fast-ion-conducting, high-T-like disordered phases. This represents a viable strategy for better exploiting the impressive