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Search Publications by: Taner Yildirim (Fed)

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Displaying 1 - 25 of 62

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

Construction of Highly Porous and Robust Hydrogen-Bonded Organic Framework for High-Capacity Clean Energy Gas Storage

August 1, 2024
Author(s)
Jia-Xin Wang, Xu Zhang, Changhao Jiang, Teng-Fei Zhang, Jiyan Pei, Wei Zhou, Taner N. Yildirim, Banglin Chen, Guodong Qian, Bin Li
Development of highly porous and robust hydrogen bonded organic frameworks (HOFs) for high-pressure methane and hydrogen storage remains a grand challenge due to the fragile nature of hydrogen bonds. Herein, we report a strategy of constructing the double

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

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

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

Air-Stable Cu(I) Metal-Organic Framework for Hydrogen Storage

September 1, 2023
Author(s)
Debabrata Sengupta, Patrick Melix, Saptasree Bose, Joshua Duncan, Xingjie Wang, Mohammad Mian, Kent Kirlikovali, Faramarz Joodaki, Timur Islamoglu, Taner N. Yildirim, Randall Snurr, Omar Farha
Metal−organic frameworks (MOFs) that contain open metal sites have the potential for storing hydrogen (H2) at ambient temperatures. In particular, Cu(I)-based MOFs demonstrate very high isosteric heats of adsorption for hydrogen relative to other reported

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

Reproducible Sorbent Materials Foundry for Carbon Capture at Scale

September 22, 2022
Author(s)
Austin McDannald, Howie Joress, Brian DeCost, Avery Baumann, A. Gilad Kusne, Kamal Choudhary, Taner N. Yildirim, Daniel Siderius, Winnie Wong-Ng, Andrew J. Allen, Christopher Stafford, Diana Ortiz-Montalvo
We envision an autonomous sorbent materials foundry (SMF) for rapidly evaluating materials for direct air capture of carbon dioxide ( CO2), specifically targeting novel metal organic framework materials. Our proposed SMF is hierarchical, simultaneously

Graph Neural Network Predictions of Metal Organic Framework CO2 Adsorption Properties

July 1, 2022
Author(s)
Kamal Choudhary, Taner N. Yildirim, Daniel Siderius, A. Gilad Kusne, Austin McDannald, Diana Ortiz-Montalvo
The increasing CO$_2$ level is a critical concern and suitable materials are needed to directly capture such gases from the environment. While experimental and conventional computational methods are useful in finding such materials, they are usually slow

Structural Properties of Kerogens with Different Maturities

October 15, 2020
Author(s)
Wei-Shan Chiang, Jin-hong Chen, David Jacobi, Taner N. Yildirim
The thermogenic transformation of kerogen into hydrocarbons accompanies the development of a pore network within the kerogen that serves as gas storage locations both in pore space and surface area for adsorbed gas within the source rock. Therefore, the

Optimization of the Pore Structures of MOFs for Record High Hydrogen Volumetric Working Capacity

April 28, 2020
Author(s)
Xin Zhang, Rui-Biao Lin, Jing Wang, Bin Wang, Bin Liang, Taner N. Yildirim, Jian Zhang, Wei Zhou, Banglin Chen
Metal-organic frameworks are promising materials for onboard hydrogen storage thanks to the tunable pore size, pore volume, and pore geometry. In consideration of pore structures, the correlation between the pore volume and hydrogen storage capacity is

A Microporous Metal-Organic Framework with Naphthalene Diimide Groups for High Methane Storage

March 28, 2020
Author(s)
Yingxiang Ye, Rui-Biao Lin, Hui Cui, Ali Alsalme, Wei Zhou, Taner N. Yildirim, Zhangjing Zhang, Shengchang Xiang, Banglin Chen
We reported a microporous MOF FJU-101 with open naphthalene diimide functional groups for room temperature (RT) high methane storage. At RT and 65 bar, the total volumetric CH 4 storage capacity of 212 cm -3 in FJU-101a is significantly higher than the

Tailoring the Pore Geometry and Chemistry in Microporous Metal-Organic Frameworks for High Methane Storage Working Capacity

November 13, 2019
Author(s)
Kai Shao, Jiyan Pei, Jia-Xin Wang, Yu Yang, Yuanjing Cui, Wei Zhou, Taner N. Yildirim, Bin Li, Banglin Chen, Guodong Qian
We realize that tailoring pore size/geometry and Chemistry, by virture of alkynl or naphthalene replacing phenyl within a series of isomorphic MOFs, can optimize methane storage working capacities, affording an exceptionally high working capacity of 203 cm