Article
Engineering, Chemical
Behra Canturk, Ali Salih, Yeliz Gurdal
Summary: This study investigates the accuracy of approximate and new methods in predicting gas permeabilities and selectivities of nanoporous materials for gas mixture separations. It compares the predictions of these methods with a detailed method using Monte Carlo and Molecular Dynamics simulations.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Jeong Pil Kim, Eunji Choi, Junhyeok Kang, Seung Eun Choi, Yunkyu Choi, Ohchan Kwon, Dae Woo Kim
Summary: Selective dense pores for H-2 are created in a graphene oxide layer by thermally decomposing oxygen functional groups under high pressure, resulting in a nanoporous GO membrane with H-2/CO2 selectivity of 12.1 and H-2 permeability of 10360 Barrer.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Raeesh Muhammad, Suhwan Kim, Jaewoo Park, Minji Jung, Myoung Eun Lee, Jaewoo Chung, Haenam Jang, Hyunchul Oh
Summary: By utilizing calcium-rich porous carbon derived from onion peel, a method to separate D-2 from a hydrogen isotopic mixture was successfully achieved, with the calcium enhancing the material's affinity towards D-2, showing promising selectivity and binding strength.
MATERIALS CHEMISTRY FRONTIERS
(2021)
Article
Multidisciplinary Sciences
Zehai Xu, Yufan Zhang, Xu Zhang, Qin Meng, Yujie Zhu, Chong Shen, Yinghua Lu, Guoliang Zhang, Congjie Gao
Summary: The study presents a method to synthesize dual metal-coordinated ultrathin nanoporous graphene nanofilms by tailoring well-aligned nanocrystals as building blocks on heteroatom-doped GO nanosheets, which allows for the controlled structures of the membranes.
Article
Chemistry, Physical
Ryan P. Mcdonnell, Venkata Swaroopa Datta Devulapalli, Tae Hoon Choi, Laura Mcdonnell, Isabella Goodenough, Prasenjit Das, Nathaniel L. Rosi, J. Karl Johnson, Eric Borguet
Summary: UiO-67 metal-organic frameworks (MOFs) have potential applications in various fields, and thermal activation can induce catalytically active defects. In this study, the effect of thermal activation on defect concentration in UiO-67 was investigated using Fourier transform infrared spectroscopy. The results show that thermal activation affects the concentration and type of Lewis acid defects in UiO-67.
CHEMISTRY OF MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Zhuangzhuang Gao, Baoju Li, Zhan Li, Tongwen Yu, Shuchang Wang, Qianrong Fang, Shilun Qiu, Ming Xue
Summary: In this study, a solvent-free space-confined conversion (SFSC) approach was used to fabricate a series of free-standing metal-organic framework (MOF) membranes. These membranes have a robust and unique structure, with large amounts of irregular-shaped micron-scale pore cavities and highly porous interlayers, resulting in satisfactory selectivities and exceptional permeances.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
In-Hwan Lee, Yongsheng Jin, Hyeon-Sik Jang, Dongmok Whang
Summary: In this study, N-doped nanoporous carbon was successfully developed as a stable Li metal host through the simple calcination of a nitrogen-containing metal-organic framework. The resulting N-doped porous carbon exhibited excellent electrochemical performances and is expected to provide an efficient approach for reliable Li metal anodes.
Article
Chemistry, Applied
Xiaojing Jiang, Jianian Chen, Fenglei Lyu, Chen Cheng, Qixuan Zhong, Xuchun Wang, Ayaz Mahsud, Liang Zhang, Qiao Zhang
Summary: This study demonstrated a controllable in situ surface-confined strategy for the synthesis of single-atom Fe-N-4 on N-doped carbon nanoleaves, leading to high surface area and graphitization degree of L-FeNC. The abundant Fe-N-4 active sites in L-FeNC resulted in enhanced mass and charge transfer, achieving a half-wave potential of 0.89 V for oxygen reduction reaction (ORR) in 0.1 M KOH.
JOURNAL OF ENERGY CHEMISTRY
(2021)
Review
Chemistry, Multidisciplinary
Avinash Kumar Both, Yurui Gao, Xiao Cheng Zeng, Chin Li Cheung
Summary: Gas hydrates, particularly methane hydrates, are studied for both their potential threats and as an alternative energy resource due to high methane storage capacity. Developing porous material hosts for gas hydrates is critical in materials and energy science communities.
Article
Chemistry, Inorganic & Nuclear
Guirong Huang, Qiushi Huang, Zhe Cui, Jinqi Zhu, Mengluan Gao, Wenqing Wang, Fuming Weng, Qian Liu, Rujia Zou
Summary: To overcome the challenges posed by volume expansion and aggregation of Bismuth (Bi) during the alloying/dealloying reactions in sodium-ion batteries, a composite material called N,S-C@Bi/CNT was synthesized by encapsulating Bi nanoparticles in N,S co-doped carbon nanoribbons and composites with carbon nanotubes. This composite material exhibited a uniform distribution of Bi nanoparticles and a structure that reduced diffusion path and prevented aggregation. Experimental results showed that the N,S-C@Bi/CNT electrode displayed superior sodium storage performance, including high specific capacity, long cycling stability, and excellent rate capability.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Limin Guo, Runze Hu, Caifu Zhong, Xinxin Wang, Jiaming Liu, Xiaohui Wang
Summary: An elegant templating method has been developed for the rational design and synthesis of hierarchical SnS2 nanoclusters embedded inside TiO2 nanoporous arrays, which exhibit enhanced photocatalytic H-2 evolution properties due to their unique structural merits and metal-like plasmonic activity. The S vacancies and N-doping play a crucial role in the electronic structures and bandgap of SnS2, affecting the plasmonic property and separation of photo-carriers. The optimized TiO2@6-nmSnS(2)/N nanoporous arrays achieve an ultra-high H-2 yield rate and remarkable cycling performance, demonstrating the potential of SnS2 as an excellent catalytic agent for solar energy conversion to chemical fuel through plasmonic effect.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Wenlei Zhang, Jianle Xu, Gang Li, Kaiying Wang
Summary: In this study, we fabricated nitrogen-doped nanoporous stainless steel foils and observed enhanced supercapacitive performance. The nitrogen-doped sample showed significantly higher average areal capacitance compared to the untreated sample. Structural and electrochemical characterizations indicated that this enhancement is due to the high charge transfer efficiency from nitriding nanosheet products Fe3N.
Article
Engineering, Chemical
Baris Demir, Ludovic F. Dumee
Summary: Amorphous nanoporous polymers, with pores smaller than 1 nm in diameter, are important materials for gas separation applications. Molecular dynamics simulations and in situ dynamic polymerization procedures are used to design, test, and tailor these porous materials, while integrating an ionic liquid to enhance gas separation performance. This platform advances knowledge on porous organic polymers and enables the design of new nanoporous polymers for various applications.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Chemistry, Physical
Muhammad Naveed Afridi, Jong-Oh Kim
Summary: In this study, the response-surface methodology (RSM) was used to optimize the synthesis of a Mg-doped UiO-66-NH2 nanocomposite for enhanced phosphate removal. The optimized parameters for the nanocomposite fabrication were determined to be a magnesium concentration of 1.18 mM, solvothermal temperature of 120 degrees C, and solvothermal time of 12.69 h. The optimal sample showed a P removal efficiency 1.75 times higher than that of pristine UiO-66-NH2. Analysis of the adsorbent revealed that the P removal process was primarily based on chemical interactions. Furthermore, the adsorbed P could be effectively recovered using different concentrations of sodium hydroxide.
APPLIED SURFACE SCIENCE
(2022)
Article
Engineering, Environmental
Ziqiang Wang, Min Li, Peng Wang, Kai Deng, Hongjie Yu, Xin Wang, You Xu, Hongjing Wang, Liang Wang
Summary: In this study, an interstitial boron-doped nanoporous palladium film was directly formed on Ni foam via a micelle-assisted reduction method. The binder-free nanoporous structure provides abundant active sites and facilitated mass/charge transfer. Moreover, the introduction of interstitial boron atoms can modify the electronic structure of Pd, improving nitrogen adsorption and inhibiting hydrogen evolution, thus enhancing the efficiency of nitrogen reduction reaction.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Jose A. Perez Pimienta, Gabriella Papa, Jian Sun, Vitalie Stavila, Arturo Sanchez, John M. Gladden, Blake A. Simmons
Summary: Pretreatment of Agave bagasse using a biocompatible low-cost protic IL, followed by enzymatic saccharification and ethanol fermentation, can achieve high sugar conversion and ethanol yield. Optimized pretreatment conditions can improve total ethanol yields, lignin removal, and glucan conversion.
Article
Chemistry, Physical
J. L. Snider, T. M. Mattox, Y-S Liu, L. F. Wan, P. Wijeratne, M. D. Allendorf, V Stavila, B. C. Wood, L. E. Klebanoff
Summary: The study reveals that LiH/MgB2 and TiH2 have different effects on the hydrogen storage properties of MgB2, with LiH/MgB2 showing higher reactivity in the surface and near-surface regions, while TiH2 does not significantly aid MgB2 hydrogenation.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
J. L. Snider, T. M. Mattox, Y-S Liu, L. F. Wan, P. Wijeratne, M. D. Allendorf, V Stavila, B. C. Wood, L. E. Klebanoff
Summary: LiH significantly improves the hydrogenation of MgB2, lowering the temperature and without forming undesirable intermediates, while TiH2 is essentially inert when mixed with MgB2 during high-pressure hydrogenation.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Nicholas A. Strange, Noemi Leick, Sarah Shulda, Andreas Schneemann, Vitalie Stavila, Andrew S. Lipton, Michael F. Toney, Thomas Gennett, Steven T. Christensen
Summary: Magnesium borohydride is a promising material for hydrogen storage, but its slow dehydrogenation kinetics and formation of intermediate polyboranes limit its application in clean energy technologies. This study presents a novel approach of modifying the physicochemical properties of magnesium borohydride by adding reactive molecules in the vapor phase. The effects of four different molecules on the additive-Mg(BH4)(2) interaction and hydrogen release at lower temperatures are examined. The results demonstrate the efficacy of this approach and provide a new path for additive-based modification of hydrogen storage materials.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Keith G. Ray, Leonard E. Klebano, Vitalie Stavila, ShinYoung Kang, Liwen F. Wan, Sichi Li, Tae Wook Heo, Mark D. Allendorf, Jonathan R. I. Lee, Alexander A. Baker, Brandon C. Wood
Summary: In this study, direct ab initio molecular dynamics simulations were used to investigate the hydrogenation chemistry of MgB2. The research reveals the multistep reaction processes at complex interfaces and provides guidance for improving the kinetic performance of MgB2-based hydrogen storage materials. These findings also serve as a template for exploring chemical pathways in other solid-state energy storage reactions.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Johannes W. M. Osterrieth, Jarnes Rampersad, David Madden, Nakul Rampal, Luka Skoric, Bethany Connolly, Mark D. Allendorf, Vitalie Stavila, Jonathan L. Snider, Rob Ameloot, Joao Marreiros, Conchi Ania, Diana Azevedo, Enrique Vilarrasa-Garcia, Bianca F. Santos, Xian-He Bu, Ze Chang, Hana Bunzen, Neil R. Champness, Sarah L. Griffin, Banglin Chen, Rui-Biao Lin, Benoit Coasne, Seth Cohen, Jessica C. Moreton, Yamil J. Colon, Linjiang Chen, Rob Clowes, Francois-Xavier Coudert, Yong Cui, Bang Hou, Deanna M. D'Alessandro, Patrick W. Doheny, Mircea Dinca, Chenyue Sun, Christian Doonan, Michael Thomas Huxley, Jack D. Evans, Paolo Falcaro, Raffaele Ricco, Omar Farha, Karam B. Idrees, Timur Islamoglu, Pingyun Feng, Huajun Yang, Ross S. Forgan, Dominic Bara, Shuhei Furukawa, Eli Sanchez, Jorge Gascon, Selvedin Telalovic, Sujit K. Ghosh, Soumya Mukherjee, Matthew R. Hill, Muhammed Munir Sadiq, Patricia Horcajada, Pablo Salcedo-Abraira, Katsumi Kaneko, Radovan Kukobat, Jeff Kenvin, Seda Keskin, Susumu Kitagawa, Ken-ichi Otake, Ryan P. Lively, Stephen J. A. DeWitt, Phillip Llewellyn, Bettina Lotsch, Sebastian T. Emmerling, Alexander M. Putz, Carlos Marti-Gastaldo, Natalia M. Padial, Javier Garcia-Martinez, Noemi Linares, Daniel Maspoch, Jose A. Suarez del Pino, Peyman Moghadam, Rama Oktavian, Russel E. Morris, Paul S. Wheatley, Jorge Navarro, Camille Petit, David Danaci, Matthew J. Rosseinsky, Alexandros P. Katsoulidis, Martin Schroder, Xue Han, Sihai Yang, Christian Serre, Georges Mouchaham, David S. Sholl, Raghuram Thyagarajan, Daniel Siderius, Randall Q. Snurr, Rebecca B. Goncalves, Shane Telfer, Seok J. Lee, Valeska P. Ting, Jemma L. Rowlandson, Takashi Uemura, Tomoya Liyuka, Monique A. van derVeen, Davide Rega, Veronique Van Speybroeck, Sven M. J. Rogge, Aran Lamaire, Krista S. Walton, Lukas W. Bingel, Stefan Wuttke, Jacopo Andreo, Omar Yaghi, Bing Zhang, Cafer T. Yavuz, Thien S. Nguyen, Felix Zamora, Carmen Montoro, Hongcai Zhou, Angelo Kirchon, David Fairen-Jimenez
Summary: Porosity and surface area analysis are important in modern materials science. However, there is a lack of attention to the reproducibility issue in calculating BET surface areas from identical isotherms, raising concerns over the reliability of reported BET areas. To address this, a new computational approach called BET surface identification (BETSI) has been developed for accurately and systematically determining the BET area of nanoporous materials.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Physical
Chaochao Dun, Sohee Jeong, Deok-Hwang Kwon, ShinYoung Kang, Vitalie Stavila, Zhuolei Zhang, Joo-Won Lee, Tracy M. Mattox, Tae Wook Heo, Brandon C. Wood, Jeffrey J. Urban
Summary: The chemical interactions on the surface of nanoparticles are closely related to its crystal facets, which can regulate the energy storage properties. This study investigated the growth of magnesium particles with different crystal facets on graphene oxide. The hydrogen storage performance of the magnesium particles varied depending on the crystal facet orientation. The results provide a new method for regulating the hydrogen storage of metal hydrides.
CHEMISTRY OF MATERIALS
(2022)
Article
Multidisciplinary Sciences
Luning Chen, Pragya Verma, Kaipeng Hou, Zhiyuan Qi, Shuchen Zhang, Yi-Sheng Liu, Jinghua Guo, Vitalie Stavila, Mark D. Allendorf, Lansun Zheng, Miquel Salmeron, David Prendergast, Gabor A. Somorjai, Ji Su
Summary: Developing highly efficient and reversible hydrogenation-dehydrogenation catalysts is of great importance for hydrogen storage technologies. The authors have developed a highly efficient and reversible single-site platinum catalyst that exhibits excellent catalytic performance in the hydrogenation-dehydrogenation reactions of large molecules such as cyclohexane and methylcyclohexane.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
David Gerard Madden, Daniel O'Nolan, Nakul Rampal, Robin Babu, Ceren Camur, Ali N. Al Shakhs, Shi-Yuan Zhang, Graham A. Rance, Javier Perez, Nicola Pietro Maria Casati, Carlos Cuadrado-Collados, Denis O'Sullivan, Nicholas P. Rice, Thomas Gennett, Philip Parilla, Sarah Shulda, Katherine E. Hurst, Vitalie Stavila, Mark D. Allendorf, Joaquin Silvestre-Albero, Alexander C. Forse, Neil R. Champness, Karena W. Chapman, David Fairen-Jimenez
Summary: We are witnessing the dawn of hydrogen economy, where hydrogen is becoming a primary fuel for heating, transportation, and energy storage. Metal-organic frameworks (MOFs) have emerged as promising adsorbent materials for hydrogen storage, but their use has been limited by a lack of densification methods. In this study, researchers screened and analyzed a database of MOFs to find an optimal material for hydrogen storage, and successfully synthesized and evaluated a monolithic MOF with high storage performance at lower operating pressures.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Mark D. Allendorf, Vitalie Stavila, Jonathan L. Snider, Matthew Witman, Mark E. Bowden, Kriston Brooks, Ba L. Tran, Tom Autrey
Summary: Hydrogen, with the highest gravimetric energy density among energy carriers and water as its only oxidation product, is highly attractive for transportation and stationary power applications. However, its low volumetric energy density presents challenges in storage, leading to the development of chemical-based storage methods using various materials. Addressing these challenges requires a deeper understanding of the complex kinetics, mass transport, and microstructural phenomena associated with hydrogen uptake and release. Solutions will require interdisciplinary approaches involving catalysis, data science, nanoscience, interfacial phenomena, and dynamic or phase-change materials.
Article
Chemistry, Inorganic & Nuclear
Joseph E. Reynolds, Austin C. Acosta, ShinYoung Kang, Sichi Li, Andrew S. Lipton, Mark E. Bowden, Nicholas R. Myllenbeck, Andreas Schneemann, Noemi Leick, Austin Bhandarkar, Christopher Reed, Robert D. Horton, Thomas Gennett, Brandon C. Wood, Mark D. Allendorf, Vitalie Stavila
Summary: This study reports a new class of Grignard reagents, reactive borohydride anions replacing halides, which adds a new synthetic dimension and exhibits unique reactivity and potential applications.
Article
Chemistry, Multidisciplinary
Donald A. Robinson, Michael E. Foster, Christopher H. Bennett, Austin Bhandarkar, Elizabeth R. Webster, Aleyna Celebi, Nisa Celebi, Elliot J. Fuller, Vitalie Stavila, Catalin D. Spataru, David S. Ashby, Matthew J. Marinella, Raga Krishnakumar, Mark D. Allendorf, A. Alec Talin
Summary: This report introduces a new material, RuPBA, which has tunable oxidation state and can control artificial synapses through conductivity. Compared to traditional materials, RuPBA has significantly improved retention of programmed states and shows good biocompatibility with neuronal cells, making it a promising candidate for brain-computer interfacing.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Nicholas A. Strange, Noemi Leick, Robert T. Bell, Margaret A. Fitzgerald, Svitlana Pylypenko, Andreas Schneemann, Vitalie Stavila, Thomas Gennett
Summary: This study investigates the structural transformations and decomposition pathways of magnesium borohydride under different synthesis routes, residual impurities, and starting crystalline phases. The results show that residual solvents can affect the material's structure, and different starting phases lead to variations in the microstructure, which in turn affect the dehydrogenation mechanisms.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Physical
Margaret Fitzgerald, Sarah Shulda, Nicholas A. Strange, Andreas Schneemann, Vitalie Stavila, Liwen F. Wan, Karl Gross, Thomas Gennett, Steven Christensen, Svitlana Pylypenko, Noemi Leick
Summary: Complex metal hydrides have high hydrogen storage capacities but are limited by high temperatures for hydrogen release and slow kinetics for hydrogen uptake. This study investigates the vapor-phase delivery of chemical additives to modify Mg(BH4)2 materials, enabling low-temperature hydrogen release. The combination of characterization techniques, especially electron microscopy, provides insight into the mechanism and accelerates research in hydrogen storage materials.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Harini Gunda, Keith G. Ray, Leonard E. Klebanoff, Chaochao Dun, Maxwell A. T. Marple, Sichi Li, Peter Sharma, Raymond W. Friddle, Joshua D. Sugar, Jonathan L. Snider, Robert D. Horton, Brendan C. Davis, Jeffery M. Chames, Yi-Sheng Liu, Jinghua Guo, Harris E. Mason, Jeffrey J. Urban, Brandon C. Wood, Mark D. Allendorf, Kabeer Jasuja, Vitalie Stavila
Summary: Metal boride nanostructures have great potential for hydrogen storage applications. However, their synthesis is challenging due to high surface energy, strong bonding, and difficult surface termination. Mechanochemical exfoliation of magnesium diboride in zirconia produces ultrathin MgB2 nanosheets with high yield. High-pressure hydrogenation and dehydrogenation of these nanosheets reveal a hydrogen capacity 50 times larger than bulk MgB2. The enhancement is attributed to defective sites created by ball-milling and incomplete Mg surface coverage. The exfoliation and creation of ultrathin layers offer a promising direction for high-capacity hydrogen storage.