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Search Publications by: Craig Brown ()

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Displaying 1 - 25 of 172

High-Temperature Carbon Dioxide Capture in a Porous Material with Terminal Zinc Hydride Sites

November 15, 2024
Author(s)
Rachel Rohde, Kurtis Carsch, Matthew Dods, Henry Jiang, Alexandra McIsaac, Ryan Klein, Hyunchul Kwon, Sarah Karstens, Yang Wang, Adrian Huang, Jordan Taylor, Yuto Yabuuchi, Nikolay Tkachenko, Katie Meihaus, Hiroyasu Furukawa, Danielle Yahne, Kaitlyn Engler, Karen Bustillo, Andrew Minor, Jeffrey Reimer, Martin Head-Gordon, Craig Brown, Jeffrey Long
Carbon capture can mitigate point-source carbon dioxide (CO2) emissions, but hurdles remain that impede the widespread adoption of amine-based technologies. Capturing CO2 at temperatures closer to those of many industrial exhaust streams (>200°C) is of

Integrating Crystallographic and Computational Approaches to Carbon-Capture Materials for the Mitigation of Climate Change

August 27, 2024
Author(s)
Eric J. Cockayne, Austin McDannald, Winnie Wong-Ng, Yu-Sheng Chen, Felipe Gandara Barragan, Jason Benedict, Christopher H. Hendon, David A. Keen, Ute Kolb, Lan Li, Shengqian Ma, William Morris, Aditya Nandy, Tomce Runcevski, Mustapha Soukri, Anuroop Sriram, Janice A. Steckel, John Findley, Chris Wilmer, Taner N. Yildirim, Wei Zhou, Igor Levin, Craig Brown
This article presents an overview of the current state of the art in the structure determination of microporous carbon-capture materials, as discussed at the recent NIST workshop "Integrating Crystallographic and Computational Approaches to Carbon-Capture

Neutron Vibrational Spectroscopic Study of the 1:1 Acetylene:Ammonia Cocrystal Relevant to Titan, Saturn's Moon

July 5, 2024
Author(s)
Morgan Kramer, Trump Benjamin, Luke Daemen, Rafael Balderas-Xicohtencatl, Yongqiang Cheng, Anibal J. Ramirez-Cuesta, Craig Brown, Tomce Runcevski
The surface of Titan, Saturn's icy moon, is believed to be comprised of various molecular minerals with a great diversity in structure and composition. Under the surface conditions, 93 K and 1.45 atm, most small molecules solidify and form minerals

Synthesis and characterization of the novel breathing pyrochlore compound Ba3Tm2Zn5O11

July 3, 2024
Author(s)
Lalit Yadav, Rabindranath Bag, Ramesh Dhakal, Stephen Winter, Jeffrey Rau, Alexander Kolesnikov, Andrey Podlesnyak, Craig Brown, Nicholas Butch, David Graf, Michel Gingras, Sara Haravifard
In this study, a novel material from the rare-earth based breathing pyrochlore family, Ba3Tm2Zn5O11, was successfully synthesized. Powder X-ray diffraction and high-resolution powder neutron diffraction confirmed phase purity and crystal structure, while

Measuring the Influence of CO2 and Water Vapor on the Dynamics in Polyethylenimine To Understand the Direct Air Capture of CO2 from the Environment

June 5, 2024
Author(s)
Avery Baumann, Takeshi Yamada, Kanae Ito, Chad R. Snyder, John Hoffman, Craig Brown, Christopher Stafford, Christopher Soles
Aminopolymer sorbents are leading candidates for extracting CO2 directly from the atmosphere under ambient conditions. For effective carbon capture, this requires not only that the CO2 actively binds with amine groups of the polymer under low gas

Water-Enhanced CO2 Capture with Molecular Salt Sodium Guanidinate

June 3, 2024
Author(s)
Hayden Evans, Marcus Carter, Wei Zhou, Taner N. Yildirim, Craig Brown, Hui Wu
Solid-state amine absorbent materials, including those containing guanidine derivatives, have received tremendous attention as the world combats the challenges of climate change. Although these materials are attractive for their selective CO2 capture

Tuning the Spontaneous Exchange Bias Effect in La1.5Sr0.5CoMnO6 with Sintering Temperature

April 24, 2024
Author(s)
C Macchiutti, J Jesus, F Carneiro, L Bufaical, Ryan Klein, Q. Zhang, M Kirkham, Craig Brown, R dos Reis, G. Perez, E. Bittar
Here, we present a study of the influence of microstructure on the magnetic properties of polycrystalline samples of the La1.5Sr0.5CoMnO6 double perovskite, with primary attention to the spontaneous exchange bias effect, a fascinating recently discovered

ALF

March 31, 2024
Author(s)
Hayden Evans, Taner N. Yildirim, Peng Peng, Yongqiang Cheng, Zeyu Deng, Qiang Zhang, Dinesh Mullangi, Dan Zhao, Pieremanuele Canepa, Hanna Breunig, Anthony Cheetham, Craig Brown

Breakdown of Sound in Superfluid Helium

February 19, 2024
Author(s)
Marc Nichitiu, Craig Brown, Igor Zaliznyak
As elementary particles carry energy and momentum in the Universe, quasiparticles are the elementary carriers of energy and momentum quanta in condensed matter. And, as elementary particles, under certain conditions quasiparticles can be unstable and decay

Small-Pore Hydridic Frameworks Store Densely Packed Hydrogen

February 6, 2024
Author(s)
Hyunchul Oh, Nikolay Tumanov, Voraksmy Ban, Xiao Li, Bo Richter, Matthew Hudson, Craig Brown, Gail Iles, Dirk Wallacher, Scott Jorgensen, Luke Daemen, Rafael Balderas-Xicohtencatl, Yongqiang Cheng, Anibal Ramirez-Cuesta, Michael Heere, Sergio Posada-Perez, Geoffroy Hautier, Michael Hirscher, T. Jensen, Yaroslav Filinchuk
Nanoporous materials have attracted great attention for gas storage, but achieving high volumetric storage capacity remains a challenge. Here, by using neutron powder diffraction, volumetric gas adsorption, inelastic neutron scattering and first-principles

Synthesis, Structure and Canted Antiferromagnetism of Layered Cobalt Hydroxide Sorbate

November 1, 2023
Author(s)
Jonathan B. Lefton, Wenhao Liu, Claire Lamberti, Bing Lv, Craig Brown, Ryan Klein, Tom Runcevski
Layered hybrid organic–inorganic compounds of the transition metal hydroxides, in which part of the hydroxide ions are exchanged for organic ligands that act as spacers of the 2-dimensional inorganic layers, elicit new or enhanced properties. The

Adaptive Pore Opening to Form Tailored Adsorption Sites in a Cooperatively Flexible Framework Enables Record Inverse Propane/Propylene Separation

October 11, 2023
Author(s)
Ryan Klein, Lukas Bingel, Arijit Halder, Marcus Carter, Benjamin Trump, Eric Bloch, Wei Zhou, Krista Walton, Craig Brown, C. McGuirk
A proposed low-energy alternative to the separation of alkanes from alkenes by energy-intensive cryogenic distillation is separation by porous adsorbents. Unfortunately, most adsorbents preferentially take up the desired, high-value major component alkene

Hydrogen Storage with Aluminum Formate, ALF: Experimental, Computational, and Technoeconomic Studies

September 28, 2023
Author(s)
Hayden Evans, Taner N. Yildirim, Peng Peng, Yongqiang Cheng, Zeyu Deng, Qiang Zhang, Dinesh Mullangi, Dan Zhao, Pieremanuele Canepa, Hanna M. Breunig, Anthony K. Cheetham, Craig Brown
Long-duration storage of hydrogen is necessary for coupling renewable H2 with stationary fuel cell power applications. In this work, aluminum formate (ALF), which adopts the ReO3-type structure, is shown to have remarkable H2 storage performance at non

Quantum Disordered Ground State in the Triangular-Lattice Magnet NaRuO 2

July 1, 2023
Author(s)
Brenden R. Ortiz, Paul M. Sarte, Alon H. Avidor, Aurland Hay, Eric Kenney, Alexander I. Kolesnikov, Daniel M. Pajerowski, Adam A. Aczel, Keith M. Taddei, Craig Brown, Chennan Wang, Michael J. Graf, Ram Seshadri, Leon Balents, Stephen Wilson
The realization of spin liquid states born from the near-critical regime of the triangular lattice Hubbard model in inorganic materials remains a long-standing challenge, where weak spin-orbit coupling and other small perturbations often induce

Exclusive Recognition of CO2 from Hydrocarbons by Aluminum Formate with Hydrogen-Confined Pore Cavities

May 31, 2023
Author(s)
Zhaoqiang Zhang, Zeyu Deng, Hayden Evans, Dinesh Mullangi, Chengjun Kang, Shing B. Peh, Yuxiang Wang, Craig Brown, John Wang, Pieremanuele Canepa, Anthony K. Cheetham, Dan Zhao
Exclusive capture of carbon dioxide (CO2) from hydrocarbons via adsorptive separation is an important technology in the petrochemical industry, especially for acetylene (C2H2) production. However, the physicochemical similarities between CO2 and C2H2

Noncryogenic Air Separation using Aluminum Formate Al(HCOO) 3 (ALF)

May 3, 2023
Author(s)
Dinesh Mullangi, Hayden Evans, Taner N. Yildirim, Yuxiang Wang, Zeyu Deng, Zhaoqiang Zhang, Thuc Mai, Fengxia Wei, John Wang, Angela R. Hight Walker, Craig Brown, Dan Zhao, Pieremanuele Canepa, Anthony K. Cheetham
Separating oxygen from air to create oxygen-enriched gas streams is a process that is significant in both industrial and medical fields. However, the prominent technologies for creating oxygen-enriched gas streams are both energy and infrastructure

Multivariate Flexible Framework with High Usable Hydrogen Capacity in a Reduced Pressure Swing Process

April 12, 2023
Author(s)
Arijit Halder, Ryan Klein, Sarah Shulda, Gavin McCarver, Philip Parilla, Hiroyasu Furukawa, Craig Brown, C. Michael McGuirk
Step-shaped adsorption¬–desorption of gaseous payloads by a flexible metal–organic framework can facilitate the delivery of large usable capaci-ties with significantly reduced energetic penalties. This is desirable for the storage, transport, and delivery

Aluminum Formate, Al(HCOO)3: An Earth-Abundant, Scalable, and Highly Selective Material for CO2 Capture

November 2, 2022
Author(s)
Hayden Evans, Dinesh Mullangi, Zeyu Deng, Yuxiang Wang, Shing B. Peh, Fengxia Wei, John Wang, Craig Brown, Dan Zhao, Pieremanuele Canepa, Anthony K. Cheetham
A combination of gas adsorption and gas breakthrough measurements show that the metal-organic framework, Al(HCOO) 3 (ALF), which can be made inexpensively from commodity chemicals, exhibits excellent CO 2 adsorption capacities and outstanding CO 2/N 2

Bi 12 O 17 Cl 2 with a Sextuple Bi-O Layer Composed of Rock-Salt and Fluorite Units and its Structural Conversion through Fluorination to Enhance Photocatalytic Activity

October 10, 2022
Author(s)
Daichi Kato, Osamu Tomita, Ryky Nelson, Maria A. Kirsanova, Richard Dronskowski, Hajime Suzuki, Chengchao Zhong, Cedric Tassel, Kohdai Ishida, Yosuke Matsuzaki, Craig Brown, Koji Fujita, Kotaro Fujii, Masatomo Yashima, Yoji Kobayashi, Akinori Saeki, Itaru Oikawa, Hitoshi Takamura, Ryu Abe, Hiroshi Kageyama, Tatiana E. Gorelik, Artem M. Abakumov
Layered bismuth oxyhalides with bilayered (Bi 2O 2) fluorite slabs are promising visible-light photocatalysts because of the ability to control the valence band levels. Here we show that a structurally uncharacterized Bi 12O 17Cl 2, which has been

Influence of Inorganic Layer Thickness on Methylammonium Dynamics in Hybrid Perovskite Derivatives

September 27, 2022
Author(s)
Alexandra Koegel, Iain Oswald, Chuy Rivera, Samantha L. Miller, M. Fallon, Timothy R. Prisk, Craig Brown, James Neilson
The layered Ruddlesden-Popper derivatives of CH 3NH 3PbI 3 have recently emerged as high-performing materials for photovoltaics with improved stability. The inclusion of organic molecules within the inorganic framework provides additional dynamic degrees

Polyoxocationic Antimony Oxide Cluster with Acidic Protons

June 17, 2022
Author(s)
Yuki Watanabe, Kim Hyeon-Deuk, Takafumi Yamamoto, Masayoshi Yabuuchi, Olesia M. Karakulina, Yasuto Noda, Takuya Kurihara, I-Ya Chang, Masanobu Higashi, Osamu Tomita, Cedric Tassel, Daichi Kato, Jingxin Xia, Tatsuhiko Goto, Craig Brown, Yuto Shimoyama, Naoki Ogiwara, Joke Hadermann, Artem M. Abakumov, Sayaka Uchida, Ryu Abe, Hiroshi Kageyama
The success and continued expansion of research in polyoxometalates (POMs) owe largely to their structural richness and wide range of functions. However, while most POM clusters known to date are negatively charged, there is only a handful of cationic POMs

Turning Molecular Springs into Nano-Shock Absorbers: The Effect of Macroscopic Morphology and Crystal Size on the Dynamic Hysteresis of Water Intrusion-Extrusion into-from Hydrophobic Nanopores

June 15, 2022
Author(s)
Pawel Zajdel, David Madden, Robin Babu, Diego Mirani, Nikolay Tsyrin, Luis Bartolome, Eder Amayuelas, David Fairen-Jimenez, Alexander Lowe, Miroslaw Chorazewski, Juscelino Leao, Craig Brown, Markus Bleuel, Victor Stoudenets, Maria Echeverria, Francisco Bonilla, Giulia Grancini, Simone Meloni, Yaroslav Grosu
Controlling the pressure at which liquids intrude (wet) and extrude (dry) into/from nanopore is of paramount importance for a broad range of applications, such as energy conversion, catalysis, chromatography, separation, ionic channels, and many more. To

Lattice Dynamics in the NASICON NaZr 2 (PO 4 ) 3 Solid Electrolyte from Temperature-Dependent Neutron Diffraction, NMR, and Ab Initio Computational Studies

May 10, 2022
Author(s)
Emily Morgan, Hayden Evans, Kartik Pilar, Craig Brown, Raphaele Clement, Ryo Maezono, Ram Seshadri, Bartomeu Monserrat, Anthony Cheetham
Natrium super ionic conductor (NASICON) compounds form a rich and highly chemically-tunable family of crystalline materials that are of widespread interest because they include exemplars with high ionic conductivity, low thermal expansion, and redox