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Eric L. Shirley, John T. Vinson, Liang Li, Maria K. Chan, Joong S. Park, Eungje Lee, John W. Freeland, Zhenpeng Yao, Fernando Castro, Timothy T. Fister, Christopher M. Wolverton, Michael Thackeray
To exploit extra capacity beyond the traditionally postulated transition metal redox in Li-ion batteries, it is imperative to understand the exact role of oxygen in the charge compensation, i.e., what triggers the electron occupation change in oxygen and
Separating acetylene from light hydrocarbon mixtures like ethylene is a very important process for downstream industrial applications. Herein, we report a new MOF [CuL 2(SiF 6)](UTSA-220, L = 1E,2E)-1,2-bis(pyridin-4-ylmethylene)hydrazine) with dual
The pore space partition (PSP) approach has been employed to realize a novel porous MOF (FJU-90) with dual functionalities for the challenging C 2H 2/CO 2 separation under ambient conditions. By virtue of a triangular ligand (Tripp = 2,4,6-tris-(4-pyridyl
This article describes electron energy-loss spectroscopy (EELS), energy-filtering transmission electron microscopy (EFTEM) and electron spectroscopic diffraction (ESD) in a transmission electron microscope (TEM) or in a scanning transmission electron
Various combinations between deuterated/nondeuterated poly(ethylene oxide) and (fully and partly) deuterated/nondeuterated ethanol solvents were investigated by small-angle neutron scattering. It was found that the deuteration process has strong effects on
Benjamin P. Burton, Daniel B. Gopman, Gunay Dogan, Eric J. Cockayne
In previous work, molecular dynamics simulations based on a rst-principles-derived eective Hamiltonian for Pb1XpSc1 {2qO3X (PSN), with nearest-neighbor Pb-O divacancy pairs, was used to calculate X_[Pb-O] vs. T, phase diagrams for PSN with: Ideal rock-salt
We investigate the influence of ion and nanoparticle solvation on the structure of aqueous salt- free solution of highly charged nanoparticles. In particular, we perform molecular dynamics simulations of a minimal model of highly charged nanoparticles with
Matthew J. Connolly, Andrew J. Slifka, Robert L. Amaro, Elizabeth S. Drexler, May L. Martin
The corrosive effect of hydrogen on steel is a long-standing problem. Corrosion in the presence of hydrogen is, in part, a consequence of the fast diffusion of hydrogen in ferritic steels. Because of the identical chemical properties but large differences
Andrew J. Allen, Winnie K. Wong-Ng, Eric J. Cockayne, Jeffrey T. Culp, Christopher Matranga
This paper reports the structural basis of CO2 adsorption in a representative model flexible metal organic framework (MOF) material, Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4] (NiBpene or PICNIC-60). NiBpene exhibits a CO2 sorption isotherm with
Hui-Men Wen, Caijun Liao, Libo Li, Ali Alsalme, Zeid Alothman, Rajamani Krishna, Hui Wu, Wei Zhou, Jun Hu, Banglin Chen
Capturing carbon dioxide (Co 2) from flue gases with porous materials has been considered as a viable alternative technology to replace the traditional liquid amine adsorbents. A large number of microporous metal-organic frameworks (MOFs) have been
Callie I. Higgins, Lewis M. Cox, Frank W. DelRio, Jason P. Killgore
Photopolymerizable materials are the focus of extensive research across a variety of fields ranging from additive manufacturing to regenerative medicine. However, poorly understood material mechanical and rheological properties during polymerization at the
Colloidal systems with both a short-range attraction and long-range repulsion (SALR) have rich phases compared with the traditional hard sphere systems or sticky hard sphere systems. The competition between the short-range attraction and long-range
Christopher H. Lee, Joseph Dura, Amy LeBar, Steven C. DeCaluwe
The solid electrolyte interphase remains a central challenge to lithium-ion battery durability, in part due to poor understanding of the basic chemistry responsible for its formation and evolution. In this study, the SEI on a non-intercalating, thin-film
Applying High Resolution Electron Backscatter Diffraction (HR-EBSD) to materials without regions amenable to acquiring backgrounds for static flat fielding (background subtraction) can cause analysis problems. To address this difficulty, the efficacy of
Carin Eklof-Osterberg, Reji Nedumkandathil, Ulrich Haussermann, Aleksander Jaworski, Andrew J. Pell, Madhu Sudan Tyagi, Niina H. Jalarvo, Bernhard Frick, Antonio Faraone, Maths Karlsson
Perovskite-type oxyhydrides, BaTiO 3-xH^ x, have been recently shown to exhibit hydride ion (H -) conductivity at elevated temperatures, but the underlying mechanism of hydride ion conduction and how it depends on temperature and oxygen vacancy
Huong Giang T. Nguyen, Jarod C. Horn, Matthew Bleakney, Daniel W. Siderius, Laura Espinal
Although helium pycnometry is generally the method of choice for skeletal density measurements of porous materials, few studies have provided a wide range of case studies that demonstrate how to best interpret raw data and perform measurements using it
Dean Hobbis, Raphael P. Hermann, Hsin Wang, David S. Parker, Tribhuwan Pandey, Joshua B. Martin, Katharine L. Page, George S. Nolas
We report on the structural, chemical, electrical and thermal properties of n-type polycrystalline NbFeSb synthesized by induction melting of the elements. Although several studies on p-type conduction of this half-Heusler composition have recently been
Daniel Josell, Thomas P. Moffat, Lyle Menk, Andrew Hollowell, M Blain
This work demonstrates void-free Cu filling of millimeter size Through Silicon Vias (mm-TSV) in an acid copper sulfate electrolyte using a combination of a polyoxamine suppressor and chloride, analogous to previous work filling TSV that were an order of
Stijn H.S. Koshari, Purnendu K. Nayak, Shalini Burra, Isidro E. Zarraga, Karthikan Rajagopal, Yun Liu, Norman J. Wagner, Abraham M. Lenhoff
Lyophilized and spray-dried biopharmaceutical formulations are used to provide long-term stability for storage and transport, but questions remain about the molecular structure in these solid formulations and how this structure may be responsible for
Polymers with a strong size-sieving ability and superior H2/CO2 selectivity are of great interests for pre-combustion CO2 capture at 100 oC or above. Polyimides (such as Matrimid and 6FDA-durene) have been cross-linked using diamines and show superior H2