Hydrogen Storage in Partially Exfoliated Magnesium Diboride Multilayers

Gunda, Harini; Ray, Keith G.; Klebanoff, Leonard E.; Dun, Chaochao; Marple, Maxwell T.; Li, Sichi; Sharma, Peter; Friddle, Raymond W.; Sugar, Joshua D.; Snider, Jonathan L.; Horton, Robert D.; Davis, Brendan C.; Chames, Jeffery M.; Liu, Yi‐Sheng; Guo, Jinghua; Mason, Harris E.; Urban, Jeffrey J.; Wood, Brandon C.; Allendorf, Mark D.; Jasuja, Kabeer; Stavila, Vitalie

doi:10.1002/smll.202205487

Hydrogen Storage in Partially Exfoliated Magnesium Diboride Multilayers

Journal Article · Mon Dec 05 00:00:00 EST 2022 · Small

DOI:https://doi.org/10.1002/smll.202205487· OSTI ID:1963673

Gunda, Harini ^[1]; Ray, Keith G. ^[2]; Klebanoff, Leonard E. ^[3]; Dun, Chaochao ^[4]; Marple, Maxwell T. ^[2]; Li, Sichi ^[2]; Sharma, Peter ^[3]; Friddle, Raymond W. ^[3]; Sugar, Joshua D. ^[3]; Snider, Jonathan L. ^[3]; Horton, Robert D. ^[3]; Davis, Brendan C. ^[3]; Chames, Jeffery M. ^[3]; Liu, Yi‐Sheng ^[4]; Guo, Jinghua ^[4]; Mason, Harris E. ^[2]; Urban, Jeffrey J. ^[4]; Wood, Brandon C. ^[2]; Allendorf, Mark D. ^[3]; Jasuja, Kabeer ^[5] more »

Sandia National Lab. (SNL-CA), Livermore, CA (United States); Indian Inst. of Technology (IIT), Gandhinagar (India)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Indian Inst. of Technology (IIT), Gandhinagar (India)

Metal boride nanostructures have shown significant promise for hydrogen storage applications. However, the synthesis of nanoscale metal boride particles is challenging because of their high surface energy, strong inter- and intraplanar bonding, and difficult-to-control surface termination. Here, it is demonstrated that mechanochemical exfoliation of magnesium diboride in zirconia produces 3-4 nm ultrathin MgB₂ nanosheets (multilayers) in high yield. High-pressure hydrogenation of these multilayers at 70 MPa and 330 °C followed by dehydrogenation at 390 °C reveals a hydrogen capacity of 5.1 wt%, which is ≈50 times larger than the capacity of bulk MgB₂ under the same conditions. This enhancement is attributed to the creation of defective sites by ball-milling and incomplete Mg surface coverage in MgB₂ multilayers, which disrupts the stable boron-boron ring structure. The density functional theory calculations indicate that the balance of Mg on the MgB₂ nanosheet surface changes as the material hydrogenates, as it is energetically favorable to trade a small number of Mg vacancies in Mg(BH₄ )₂ for greater Mg coverage on the MgB₂ surface. To conclude, the exfoliation and creation of ultrathin layers is a promising new direction for 2D metal boride/borohydride research with the potential to achieve high-capacity reversible hydrogen storage at more moderate pressures and temperatures.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: Department of Science and Technology India; USDOE; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-05CH11231; AC04-94AL85000; AC52-07NA27344

OSTI ID:: 1963673

Alternate ID(s):: OSTI ID: 1923811

Journal Information:: Small, Journal Name: Small Journal Issue: 6 Vol. 19; ISSN 1613-6810

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

References (80)

Comparison shopping for a gradient-corrected density functional Perdew, John P.; Burke, Kieron International Journal of Quantum Chemistry, Vol. 57, Issue 3 https://doi.org/10.1002/(SICI)1097-461X(1996)57:3<309::AID-QUA4>3.0.CO;2-1	journal	February 1996
Nanotechnological Aspects in Materials for Hydrogen Storage Fichtner, M. Advanced Engineering Materials, Vol. 7, Issue 6, p. 443-455 https://doi.org/10.1002/adem.200500022	journal	June 2005
Solvated Graphenes: An Emerging Class of Functional Soft Materials Cheng, Chi; Li, Dan Advanced Materials, Vol. 25, Issue 1 https://doi.org/10.1002/adma.201203567	journal	November 2012
Carbon-Coated Li₃N Nanofibers for Advanced Hydrogen Storage Xia, Guanglin; Li, Dan; Chen, Xiaowei Advanced Materials, Vol. 25, Issue 43, p. 6238-6244 https://doi.org/10.1002/adma.201301927	journal	August 2013
Monodisperse Magnesium Hydride Nanoparticles Uniformly Self-Assembled on Graphene Xia, Guanglin; Tan, Yingbin; Chen, Xiaowei Advanced Materials, Vol. 27, Issue 39 https://doi.org/10.1002/adma.201502005	journal	August 2015
Challenges in Liquid-Phase Exfoliation, Processing, and Assembly of Pristine Graphene Parviz, Dorsa; Irin, Fahmida; Shah, Smit A. Advanced Materials, Vol. 28, Issue 40 https://doi.org/10.1002/adma.201601889	journal	August 2016
Nanointerface-Driven Reversible Hydrogen Storage in the Nanoconfined Li-N-H System Wood, Brandon C.; Stavila, Vitalie; Poonyayant, Natchapol Advanced Materials Interfaces, Vol. 4, Issue 3 https://doi.org/10.1002/admi.201600803	journal	January 2017
Rational Design of Nanosized Light Elements for Hydrogen Storage: Classes, Synthesis, Characterization, and Properties Lai, Qiwen; Wang, Ting; Sun, Yahui Advanced Materials Technologies, Vol. 3, Issue 9 https://doi.org/10.1002/admt.201700298	journal	February 2018
Chemical and Physical Solutions for Hydrogen Storage Eberle, Ulrich; Felderhoff, Michael; Schüth, Ferdi Angewandte Chemie International Edition, Vol. 48, Issue 36 https://doi.org/10.1002/anie.200806293	journal	August 2009
Porous and Dense Magnesium Borohydride Frameworks: Synthesis, Stability, and Reversible Absorption of Guest Species Filinchuk, Yaroslav; Richter, Bo; Jensen, Torben R. Angewandte Chemie International Edition, Vol. 50, Issue 47 https://doi.org/10.1002/anie.201100675	journal	September 2011
Magnesium Nanocrystals Embedded in a Metal-Organic Framework: Hybrid Hydrogen Storage with Synergistic Effect on Physi- and Chemisorption Lim, Dae-Woon; Yoon, Ji Woong; Ryu, Keun Yong Angewandte Chemie International Edition, Vol. 51, Issue 39 https://doi.org/10.1002/anie.201206055	journal	September 2012
Defying Thermodynamics: Stabilization of Alane Within Covalent Triazine Frameworks for Reversible Hydrogen Storage Stavila, Vitalie; Li, Sichi; Dun, Chaochao Angewandte Chemie International Edition, Vol. 60, Issue 49 https://doi.org/10.1002/anie.202107507	journal	October 2021
Simple, Green, and High‐Yield Production of Boron‐Based Nanostructures with Diverse Morphologies by Dissolution and Recrystallization of Layered Magnesium Diboride Crystals in Water Gunda, Harini; Das, Saroj Kumar; Jasuja, Kabeer ChemPhysChem, Vol. 19, Issue 7 https://doi.org/10.1002/cphc.201701033	journal	February 2018
Kinetic Enhancement of Direct Hydrogenation of MgB ₂ to Mg(BH ₄ ) ₂ upon Mechanical Milling with THF, MgH ₂ , and/or Mg Sugai, Cody; Kim, Stephen; Severa, Godwin ChemPhysChem, Vol. 20, Issue 10 https://doi.org/10.1002/cphc.201801187	journal	March 2019
Nanosizing and Nanoconfinement: New Strategies Towards Meeting Hydrogen Storage Goals de Jongh, Petra E.; Adelhelm, Philipp ChemSusChem, Vol. 3, Issue 12 https://doi.org/10.1002/cssc.201000248	journal	November 2010
Recent advances, unsolved deficiencies, and future perspectives of hydrogen fuel cells in transportation and portable sectors Rath, Rosalin; Kumar, Piyush; Mohanty, Smita International Journal of Energy Research, Vol. 43, Issue 15 https://doi.org/10.1002/er.4795	journal	August 2019
The Hydrogen‐Storage Challenge: Nanoparticles for Metal‐Catalyzed Ammonia Borane Dehydrogenation Mboyi, Clève D.; Poinsot, Didier; Roger, Julien Small, Vol. 17, Issue 44 https://doi.org/10.1002/smll.202102759	journal	August 2021
Some properties of magnesium borohydride Konoplev, V. N.; Bakulina, V. M. Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, Vol. 20, Issue 1 https://doi.org/10.1007/BF00849335	journal	January 1971
Co-solvent exfoliation of layered titanium diboride into few-layer-thick nanosheets Patidar, Rishabh; Gunda, Harini; Varma, Akash K. Ceramics International, Vol. 46, Issue 18 https://doi.org/10.1016/j.ceramint.2020.07.336	journal	December 2020
Magnesium borohydride as a hydrogen storage material: Properties and dehydrogenation pathway of unsolvated Mg(BH₄)₂ Soloveichik, G.; Gao, Y.; Rijssenbeek, J. International Journal of Hydrogen Energy, Vol. 34, Issue 2, p. 916-928 https://doi.org/10.1016/j.ijhydene.2008.11.016	journal	January 2009
Porous MgH2/C composite with fast hydrogen storage kinetics Konarova, Muxina; Tanksale, Akshat; Beltramini, Jorge Norberto International Journal of Hydrogen Energy, Vol. 37, Issue 10 https://doi.org/10.1016/j.ijhydene.2012.02.073	journal	May 2012
Metal hydride material requirements for automotive hydrogen storage systems Pasini, José Miguel; Corgnale, Claudio; van Hassel, Bart A. International Journal of Hydrogen Energy, Vol. 38, Issue 23 https://doi.org/10.1016/j.ijhydene.2012.08.112	journal	August 2013
5 Years of hydrogen storage research in the U.S. DOE Metal Hydride Center of Excellence (MHCoE) Klebanoff, L. E.; Keller, J. O. International Journal of Hydrogen Energy, Vol. 38, Issue 11 https://doi.org/10.1016/j.ijhydene.2013.01.051	journal	April 2013
Recent progress in magnesium borohydride Mg(BH4)2: Fundamentals and applications for energy storage Zavorotynska, Olena; El-Kharbachi, Abdelouahab; Deledda, Stefano International Journal of Hydrogen Energy, Vol. 41, Issue 32 https://doi.org/10.1016/j.ijhydene.2016.02.015	journal	August 2016
A theoretical study of the spectroscopic properties of B2H6 and of a series of B H y z − species (x = 1−12, y = 3−14, z = 0−2): From BH3 to B12 H 12 2 − Sethio, Daniel; Lawson Daku, Latévi Max; Hagemann, Hans International Journal of Hydrogen Energy, Vol. 41, Issue 16 https://doi.org/10.1016/j.ijhydene.2016.02.121	journal	May 2016
Kinetics studies of the reversible partial decomposition reaction in Mg(BH4)2 Zavorotynska, Olena; Deledda, Stefano; Hauback, Bjørn C. International Journal of Hydrogen Energy, Vol. 41, Issue 23 https://doi.org/10.1016/j.ijhydene.2016.02.153	journal	June 2016
Investigating possible kinetic limitations to MgB2 hydrogenation Liu, Y. -S.; Klebanoff, L. E.; Wijeratne, P. International Journal of Hydrogen Energy, Vol. 44, Issue 59 https://doi.org/10.1016/j.ijhydene.2019.09.125	journal	November 2019
Feasibility of the Zero-V: A zero-emissions hydrogen fuel-cell coastal research vessel Madsen, R. T.; Klebanoff, L. E.; Caughlan, S. A. M. International Journal of Hydrogen Energy, Vol. 45, Issue 46 https://doi.org/10.1016/j.ijhydene.2020.06.019	journal	September 2020
The influence of LiH and TiH2 on hydrogen storage in MgB2 II. XPS study of surface and near-surface phenomena Snider, J. L.; Mattox, T. M.; Liu, Y. -S. International Journal of Hydrogen Energy, Vol. 47, Issue 1 https://doi.org/10.1016/j.ijhydene.2021.09.163	journal	January 2022
The influence of LiH and TiH2 on hydrogen storage in MgB2 I: Promotion of bulk hydrogenation at reduced temperature Snider, J. L.; Liu, Y. -S.; Sawvel, A. M. International Journal of Hydrogen Energy, Vol. 47, Issue 1 https://doi.org/10.1016/j.ijhydene.2021.09.169	journal	January 2022
Nanostructure-induced hydrogenation of layered compound MgB2 Li, Hai-Wen; Matsunaga, Tomoya; Yan, Yigang Journal of Alloys and Compounds, Vol. 505, Issue 2 https://doi.org/10.1016/j.jallcom.2010.06.101	journal	September 2010
Synthesis of amorphous Mg(BH4)2 from MgB2 and H2 at room temperature Pistidda, Claudio; Garroni, Sebastiano; Dolci, Francesco Journal of Alloys and Compounds, Vol. 508, Issue 1 https://doi.org/10.1016/j.jallcom.2010.07.226	journal	October 2010
Complex hydrides for hydrogen storage – new perspectives Ley, Morten B.; Jepsen, Lars H.; Lee, Young-Su Materials Today, Vol. 17, Issue 3 https://doi.org/10.1016/j.mattod.2014.02.013	journal	April 2014
Recent advances and remaining challenges of nanostructured materials for hydrogen storage applications Yu, Xuebin; Tang, Ziwei; Sun, Dalin Progress in Materials Science, Vol. 88 https://doi.org/10.1016/j.pmatsci.2017.03.001	journal	July 2017
Decomposition pathway of Mg(BH4)2 under pressure: Metastable phases and thermodynamic parameters Yang, Junzhi; Zhang, Xuanzhou; Zheng, Jie Scripta Materialia, Vol. 64, Issue 3 https://doi.org/10.1016/j.scriptamat.2010.10.019	journal	February 2011
Layered magnesium diboride and its derivatives as potential catalytic and energetic additives for tuning the exothermicity of ammonium perchlorate Gunda, Harini; Ghoroi, Chinmay; Jasuja, Kabeer Thermochimica Acta, Vol. 690 https://doi.org/10.1016/j.tca.2020.178674	journal	August 2020
Nanostructured Metal Hydrides for Hydrogen Storage Schneemann, Andreas; White, James L.; Kang, ShinYoung Chemical Reviews, Vol. 118, Issue 22 https://doi.org/10.1021/acs.chemrev.8b00313	journal	October 2018
Selective Reversible Hydrogenation of Mg(B ₃ H ₈ ) ₂ /MgH ₂ to Mg(BH ₄ ) ₂ : Pathway to Reversible Borane-Based Hydrogen Storage? Chong, Marina; Matsuo, Motoaki; Orimo, Shin-ichi Inorganic Chemistry, Vol. 54, Issue 8 https://doi.org/10.1021/acs.inorgchem.5b00373	journal	March 2015
Nanoscale Mg–B via Surfactant Ball Milling of MgB ₂ : Morphology, Composition, and Improved Hydrogen Storage Properties Liu, Y. -S.; Ray, K. G.; Jørgensen, M. The Journal of Physical Chemistry C, Vol. 124, Issue 39 https://doi.org/10.1021/acs.jpcc.0c05142	journal	September 2020
Understanding Hydrogenation Chemistry at MgB ₂ Reactive Edges from Ab Initio Molecular Dynamics Ray, Keith G.; Klebanoff, Leonard E.; Stavila, Vitalie ACS Applied Materials & Interfaces, Vol. 14, Issue 18 https://doi.org/10.1021/acsami.1c23524	journal	March 2022
Chemical Exfoliation of Layered Magnesium Diboride To Yield Functionalized Nanosheets and Nanoaccordions for Potential Flame Retardant Applications Das, Saroj Kumar; Jasuja, Kabeer ACS Applied Nano Materials, Vol. 1, Issue 4 https://doi.org/10.1021/acsanm.8b00101	journal	March 2018
Progress, Challenges, and Opportunities in the Synthesis, Characterization, and Application of Metal-Boride-Derived Two-Dimensional Nanostructures Gunda, Harini; Klebanoff, Leonard E.; Sharma, Peter Anand ACS Materials Letters, Vol. 3, Issue 5 https://doi.org/10.1021/acsmaterialslett.1c00086	journal	April 2021
Nanoconfinement of Molecular Magnesium Borohydride Captured in a Bipyridine-Functionalized Metal–Organic Framework Schneemann, Andreas; Wan, Liwen F.; Lipton, Andrew S. ACS Nano, Vol. 14, Issue 8 https://doi.org/10.1021/acsnano.0c03764	journal	July 2020
Reversing the Irreversible: Thermodynamic Stabilization of LiAlH ₄ Nanoconfined Within a Nitrogen-Doped Carbon Host Cho, YongJun; Li, Sichi; Snider, Jonathan L. ACS Nano, Vol. 15, Issue 6 https://doi.org/10.1021/acsnano.1c02079	journal	May 2021
Tutorial on Powder X-ray Diffraction for Characterizing Nanoscale Materials Holder, Cameron F.; Schaak, Raymond E. ACS Nano, Vol. 13, Issue 7 https://doi.org/10.1021/acsnano.9b05157	journal	July 2019
Synthesis of Li ₂ NH Hollow Nanospheres with Superior Hydrogen Storage Kinetics by Plasma Metal Reaction Xie, Lei; Zheng, Jie; Liu, Yang Chemistry of Materials, Vol. 20, Issue 1 https://doi.org/10.1021/cm071517d	journal	December 2007
Hydrogen Storage Properties of Space-Confined NaAlH ₄ Nanoparticles in Ordered Mesoporous Silica Zheng, Shiyou; Fang, Fang; Zhou, Guangyou Chemistry of Materials, Vol. 20, Issue 12 https://doi.org/10.1021/cm8002063	journal	June 2008
Magnesium Nanowires: Enhanced Kinetics for Hydrogen Absorption and Desorption Li, Weiyang; Li, Chunsheng; Ma, Hua Journal of the American Chemical Society, Vol. 129, Issue 21 https://doi.org/10.1021/ja071323z	journal	May 2007
Optimizing Hydrogen Storage in MOFs through Engineering of Crystal Morphology and Control of Crystal Size Suresh, Kuthuru; Aulakh, Darpandeep; Purewal, Justin Journal of the American Chemical Society, Vol. 143, Issue 28 https://doi.org/10.1021/jacs.1c04926	journal	July 2021
Formation and Characterization of Hydrogen Boride Sheets Derived from MgB ₂ by Cation Exchange Nishino, Hiroaki; Fujita, Takeshi; Cuong, Nguyen Thanh Journal of the American Chemical Society, Vol. 139, Issue 39 https://doi.org/10.1021/jacs.7b06153	journal	September 2017
Theoretical Prediction of Metastable Intermediates in the Decomposition of Mg(BH ₄ ) ₂ Zhang, Yongsheng; Majzoub, Eric; Ozoliņš, Vidvuds The Journal of Physical Chemistry C, Vol. 116, Issue 19 https://doi.org/10.1021/jp302303z	journal	May 2012
NMR Confirmation for Formation of [B ₁₂ H ₁₂ ] ^2- Complexes during Hydrogen Desorption from Metal Borohydrides Hwang, Son-Jong; Bowman, Robert C.; Reiter, Joseph W. The Journal of Physical Chemistry C, Vol. 112, Issue 9 https://doi.org/10.1021/jp710894t	journal	March 2008
Reversibility and Improved Hydrogen Release of Magnesium Borohydride Newhouse, Rebecca J.; Stavila, Vitalie; Hwang, Son-Jong The Journal of Physical Chemistry C, Vol. 114, Issue 11 https://doi.org/10.1021/jp9116744	journal	February 2010
Hydrogen storage in Pd nanocrystals covered with a metal–organic framework Li, Guangqin; Kobayashi, Hirokazu; Taylor, Jared M. Nature Materials, Vol. 13, Issue 8 https://doi.org/10.1038/nmat4030	journal	July 2014
Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides Li, Sichi; Gunda, Harini; Ray, Keith G. Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-26512-4	journal	November 2021
Aqueous dispersions of few-layer-thick chemically modified magnesium diboride nanosheets by ultrasonication assisted exfoliation Das, Saroj Kumar; Bedar, Amita; Kannan, Aadithya Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep10522	journal	June 2015
Direct hydrogenation of magnesium boride to magnesium borohydride: demonstration of >11 weight percent reversible hydrogenstorage Severa, Godwin; Rönnebro, Ewa; Jensen, Craig M. Chem. Commun., Vol. 46, Issue 3 https://doi.org/10.1039/B921205A	journal	January 2010
Solvent-free synthesis and stability of MgB ₁₂ H ₁₂ Remhof, Arndt; Yan, Yigang; Rentsch, Daniel J. Mater. Chem. A, Vol. 2, Issue 20 https://doi.org/10.1039/C4TA00644E	journal	January 2014
Chelation assisted exfoliation of layered borides towards synthesizing boron based nanosheets James, Asha Liza; Jasuja, Kabeer RSC Advances, Vol. 7, Issue 4 https://doi.org/10.1039/C6RA26658D	journal	January 2017
Elucidating the mechanism of MgB ₂ initial hydrogenation via a combined experimental–theoretical study Ray, Keith G.; Klebanoff, Leonard E.; Lee, Jonathan R. I. Physical Chemistry Chemical Physics, Vol. 19, Issue 34 https://doi.org/10.1039/C7CP03709K	journal	January 2017
Boron based nanosheets as reducing templates in aqueous solutions: towards novel nanohybrids with gold nanoparticles and graphene James, Asha Liza; Khandelwal, Shikha; Dutta, Arnab Nanoscale, Vol. 10, Issue 44 https://doi.org/10.1039/C8NR06283H	journal	January 2018
Processable dispersions of photocatalytically active nanosheets derived from titanium diboride: self assembly into hydrogels and paper-like macrostructures James, Asha Liza; Lenka, Manis; Pandey, Nidhi Nanoscale, Vol. 12, Issue 32 https://doi.org/10.1039/D0NR03677C	journal	January 2020
Synthesis and properties of magnesium tetrahydroborate, Mg(BH4)2 Chłopek, Krzysztof; Frommen, Christoph; Léon, Aline Journal of Materials Chemistry, Vol. 17, Issue 33 https://doi.org/10.1039/b702723k	journal	January 2007
High yield synthesis of boron-based nanosheets Saraswat, Rohit; James, Asha Liza; Jasuja, Kabeer Advances in Applied Ceramics, Vol. 118, Issue 4 https://doi.org/10.1080/17436753.2019.1584481	journal	February 2019
Formation of an intermediate compound with a B ₁₂ H ₁₂ cluster: experimental and theoretical studies on magnesium borohydride Mg(BH ₄ ) ₂ Li, H-W; Miwa, K.; Ohba, N. Nanotechnology, Vol. 20, Issue 20 https://doi.org/10.1088/0957-4484/20/20/204013	journal	April 2009
Hydrogenation via a low energy mechanochemical approach: the MgB ₂ case Pistidda, Claudio; Santhosh, Archa; Jerabek, Paul Journal of Physics: Energy, Vol. 3, Issue 4 https://doi.org/10.1088/2515-7655/abf81b	journal	August 2021
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Correlation between thermodynamical stabilities of metal borohydrides and cation electronegativites: First-principles calculations and experiments Nakamori, Yuko; Miwa, Kazutoshi; Ninomiya, Akihito Physical Review B, Vol. 74, Issue 4 https://doi.org/10.1103/PhysRevB.74.045126	journal	July 2006
Thermodynamic stability of transition metals on the Mg-terminated MgB 2 (0001) surface and their effects on hydrogen dissociation and diffusion Wang, Yongli; Michel, Kyle; Zhang, Yongsheng Physical Review B, Vol. 91, Issue 15 https://doi.org/10.1103/PhysRevB.91.155431	journal	April 2015
The Effect of Ball Milling on Properties and Consolidation of Nanostructured ZrB₂ Park, Na-Ra; Cho, Woo-Jin; Kim, Seong-Eun Journal of Nanoscience and Nanotechnology, Vol. 19, Issue 4 https://doi.org/10.1166/jnn.2019.15982	journal	April 2019
Mechanochemical Synthesis and Rapid Consolidation of Nanostructured Nb–ZrO₂ Composite Kim, Seong-Eun; Yoon, Jin-Kook; Shon, In-Jin Journal of Nanoscience and Nanotechnology, Vol. 20, Issue 7 https://doi.org/10.1166/jnn.2020.17580	journal	July 2020
The Effect of Ball Milling on Properties and Sintering of Nanostructured TiB₂ Kim, Seong-Eun; Shon, In-Jin Journal of Nanoscience and Nanotechnology, Vol. 21, Issue 7 https://doi.org/10.1166/jnn.2021.19246	journal	July 2021
Grain boundaries in nanocrystalline catalytic materials as a source of surface chemical functionality Landau, Miron V.; Vidruk, Roxana; Vingurt, Dmitro Reviews in Chemical Engineering, Vol. 30, Issue 4 https://doi.org/10.1515/revce-2014-0011	journal	July 2014
Metallic Hydrides I: Hydrogen Storage and Other Gas-Phase Applications Bowman, Robert C.; Fultz, Brent MRS Bulletin, Vol. 27, Issue 9 https://doi.org/10.1557/mrs2002.223	journal	September 2002
Preparation and Characterization of Zirconia Based Thick Film Resistor as a Ammonia Gas Sensor Deshmukh, S. B.; Bari, R. H.; Patil, G. E. International Journal on Smart Sensing and Intelligent Systems, Vol. 5, Issue 3 https://doi.org/10.21307/ijssis-2017-494	journal	January 2012
Recent Progress in Metal Borohydrides for Hydrogen Storage Li, Hai-Wen; Yan, Yigang; Orimo, Shin-ichi Energies, Vol. 4, Issue 1 https://doi.org/10.3390/en4010185	journal	January 2011
Effects of Mechanical Ball Milling Time on the Microstructure and Mechanical Properties of Mo2NiB2-Ni Cermets Zhang, Lei; Huang, Zhifu; Liu, Yangzhen Materials, Vol. 12, Issue 12 https://doi.org/10.3390/ma12121926	journal	June 2019

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