The DOI matches its Crossref record; 51 of the 51 references it cites were found in a registry or an index.
Chemical stability of hydrogen boride nanosheets in water
Abstract
Boron-based two-dimensional materials are of interest for use in electronic devices and catalytic applications, for which it is important that they are chemically stable. Here, we explore the chemical stability of hydrogen boride nanosheets in water. Experiments reveal that mixing hydrogen boride and water produces negligible amounts of hydrogen, suggesting that hydrolysis does not occur and that hydrogen boride is stable in water, which is in contrast to most boron hydride materials. First-principles calculations reveal that the sheets interact weakly with water even in the presence of defects and that negatively charged boron prevents the onset of hydrolysis. We conclude that the charge state of boron and the covalent boron-boron bond network are responsible for the chemical and structural stability. On the other hand, we found that proton exchange with hydrogen boride nanosheets does occur in water, indicating that they become acidic in the presence of water.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,281
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
Vanderbilt, D. (1990) · Physical Review B · doi:10.1103/physrevb.41.7892 · Cited by 23,185
Advanced capabilities for materials modelling with Q uantum ESPRESSO
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., et al. (2017) · Journal of Physics: Condensed Matter · doi:10.1088/1361-648x/aa8f79 · Cited by 8,361
wannier90: A tool for obtaining maximally-localised Wannier functions
Mostofi, A. A., Yates, J. R., Lee, Y., Souza, I., Vanderbilt, D. H., & Marzari, N. (2007) · Computer Physics Communications · doi:10.1016/j.cpc.2007.11.016 · Cited by 4,204
Advanced capabilities for materials modelling with Quantum ESPRESSO
Giannozzi, P., Andreussi, O., Brumme, T., Bunău, O., Nardelli, M. B., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., et al. (2017) · TUScholarShare (Temple University) · Cited by 3,594
Maximally localized Wannier functions: Theory and applications
Marzari, N., Mostofi, A. A., Yates, J. R., Souza, I., & Vanderbilt, D. (2012) · Reviews of Modern Physics · doi:10.1103/revmodphys.84.1419 · Cited by 3,283
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
Mannix, A. J., Zhou, X.-F., Kiraly, B., Wood, J. D., Alducin, D., Myers, B. D., Liu, X., Fisher, B. L., Santiago, U., Guest, J. R., et al. (2015) · Science · doi:10.1126/science.aad1080 · Cited by 2,744
Wannier90 as a community code: new features and applications
Pizzi, G., Vitale, V., Arita, R., Blügel, S., Freimuth, F., Géranton, G., Gibertini, M., Gresch, D., Johnson, C., Koretsune, T., et al. (2019) · Journal of Physics Condensed Matter · doi:10.1088/1361-648x/ab51ff · Cited by 2,110
Experimental realization of two-dimensional boron sheets
Feng, B., Zhang, J., Zhong, Q., Li, W., Li, S., Li, H., Cheng, P., Meng, S., Chen, L., & Wu, K. (2016) · Nature Chemistry · doi:10.1038/nchem.2491 · Cited by 1,893
XCrySDen—a new program for displaying crystalline structures and electron densities
Kokalj, A. (1999) · Journal of Molecular Graphics and Modelling · doi:10.1016/s1093-3263(99)00028-5 · Cited by 1,864
Pseudopotentials for high-throughput DFT calculations
Garrity, K. F., Bennett, J. W., Rabe, K. M., & Vanderbilt, D. (2014) · Computational Materials Science · doi:10.1016/j.commatsci.2013.08.053 · Cited by 1,644
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
Thonhauser, T., Cooper, V. R., Li, S., Puzder, A., Hyldgaard, P., & Langreth, D. C. (2007) · Physical Review B · doi:10.1103/physrevb.76.125112 · Cited by 1,235
Two-Dimensional Boron Monolayer Sheets
Wu, X., Dai, J., Zhao, Y., Zhuo, Z., Yang, J., & Zeng, X. C. (2012) · ACS Nano · doi:10.1021/nn302696v · Cited by 890
Planar hexagonal B36 as a potential basis for extended single-atom layer boron sheets
Piazza, Z. A., Hu, H., Li, W., Zhao, Y., Li, J., & Wang, L. (2014) · Nature Communications · doi:10.1038/ncomms4113 · Cited by 869
van der Waals density functional made accurate
Hamada, I. (2014) · Physical Review B · doi:10.1103/physrevb.89.121103 · Cited by 756
Self-citationOtani, M., & Sugino, O. (2006) · Physical Review B · doi:10.1103/physrevb.73.115407 · Cited by 746
Polymorphism of Two-Dimensional Boron
Penev, E. S., Bhowmick, S., Sadrzadeh, A., & Yakobson, B. I. (2012) · Nano Letters · doi:10.1021/nl3004754 · Cited by 672
Experimental realization of honeycomb borophene
Li, W., Kong, L., Chen, C., Gou, J., Sheng, S., Zhang, W., Li, H., Chen, L., Cheng, P., & Wu, K. (2018) · Science Bulletin · doi:10.1016/j.scib.2018.02.006 · Cited by 584
Boron Hydrides: LCAO—MO and Resonance Studies
Hoffmann, R., & Lipscomb, W. N. (1962) · The Journal of Chemical Physics · doi:10.1063/1.1733113 · Cited by 469
Feng, B., Sugino, O., Liu, R.-Y., Zhang, J., Yukawa, R., Kawamura, M., Iimori, T., Kim, H., Hasegawa, Y., Li, H., et al. (2017) · Physical Review Letters · doi:10.1103/physrevlett.118.096401 · Cited by 469
Wannier90 as a community code: New features and applications
Pizzi, G., Vitale, V., Arita, R., Blügel, S., Freimuth, F., Géranton, G., Gibertini, M., Gresch, D., Johnson, C., Koretsune, T., et al. (2019) · Zurich Open Repository and Archive (University of Zurich) · doi:10.17863/cam.48267 · Cited by 444
Li, W., Chen, Q., Tian, W., Bai, H., Zhao, Y., Hu, H., Li, J., Zhai, H., Li, S., & Wang, L. (2014) · Journal of the American Chemical Society · doi:10.1021/ja507235s · Cited by 364
The Boranes and Their Relatives
Lipscomb, W. N. (1977) · Science · doi:10.1126/science.196.4294.1047 · Cited by 256
Formation and Characterization of Hydrogen Boride Sheets Derived from MgB2 by Cation Exchange
Nishino, H., Fujita, T., Cuong, N. T., Tominaka, S., Miyauchi, M., Iimura, S., Hirata, A., Umezawa, N., Okada, S., Nishibori, E., et al. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.7b06153 · Cited by 249
Self-citationThe Valence Structure of the Boron Hydrides
Eberhardt, W., Crawford, B. L., & Lipscomb, W. N. (1954) · The Journal of Chemical Physics · doi:10.1063/1.1740320 · Cited by 248
Synthesis of borophane polymorphs through hydrogenation of borophene
Li, Q., Kolluru, V. S. C., Rahn, M. S., Schwenker, E., Li, S., Hennig, R. G., Darancet, P., Chan, M. K. Y., & Hersam, M. C. (2021) · Science · doi:10.1126/science.abg1874 · Cited by 231
Stability and Electronic Properties of Atomistically-Engineered 2D Boron Sheets
Lau, K. C., & Pandey, R. (2007) · The Journal of Physical Chemistry C · doi:10.1021/jp066719w · Cited by 210
Substrate-Induced Nanoscale Undulations of Borophene on Silver
Zhang, Z., Mannix, A. J., Hu, Z., Kiraly, B., Guisinger, N. P., Hersam, M. C., & Yakobson, B. I. (2016) · Nano Letters · doi:10.1021/acs.nanolett.6b03349 · Cited by 197
Jiao, Y., Ma, F., Bell, J. M., Bilić, A., & Du, A. (2016) · Angewandte Chemie International Edition · doi:10.1002/anie.201604369 · Cited by 151
Makaremi, M., Mortazavi, B., & Singh, C. V. (2018) · Materials Today Energy · doi:10.1016/j.mtener.2018.02.003 · Cited by 142
Photoinduced hydrogen release from hydrogen boride sheets
Kawamura, R., Cuong, N. T., Fujita, T., Ishibiki, R., Hirabayashi, T., Yamaguchi, A., Matsuda, I., Okada, S., Kondo, T., & Miyauchi, M. (2019) · Nature Communications · doi:10.1038/s41467-019-12903-1 · Cited by 115
Self-citationStructural evolution of amino acid crystals under stress from a non-empirical density functional
Sabatini, R., Küçükbenli, E., Kolb, B., Thonhauser, T., & de Gironcoli, S. (2012) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/24/42/424209 · Cited by 107
Stability of Nanoparticles in Water
Labille, J., & Brant, J. A. (2010) · Nanomedicine · doi:10.2217/nnm.10.62 · Cited by 106
Hamada, I., Otani, M., Sugino, O., & Morikawa, Y. (2009) · Physical Review B · doi:10.1103/physrevb.80.165411 · Cited by 79
Self-citationFormation Mechanism of Boron-Based Nanosheet through the Reaction of MgB 2 with Water
Nishino, H., Fujita, T., Yamamoto, A., Fujimori, T., Fujino, A., Ito, S., Nakamura, J., Hosono, H., & Kondo, T. (2017) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.7b02348 · Cited by 79
Self-citationGeometrical Frustration of B-H Bonds in Layered Hydrogen Borides Accessible by Soft Chemistry
Tominaka, S., Ishibiki, R., Fujino, A., Kawakami, K., Ohara, K., Masuda, T., Matsuda, I., Hosono, H., & Kondo, T. (2019) · Chem · doi:10.1016/j.chempr.2019.11.006 · Cited by 77
Self-citationPrediction of a multicenter-bonded solid boron hydride for hydrogen storage
Abtew, T. A., Shih, B.-C., Dev, P., Crespi, V. H., & Zhang, P. (2011) · Physical Review B · doi:10.1103/physrevb.83.094108 · Cited by 68
Self-consistent van der Waals density functional study of benzene adsorption on Si(100)
Hamamoto, Y., Hamada, I., Inagaki, K., & Morikawa, Y. (2016) · Physical review. B./Physical review. B · doi:10.1103/physrevb.93.245440 · Cited by 63
Self-citationChen, X., Chen, X., Ma, N., Liu, X., Wei, C., Cui, C., Cao, B., Guo, Y., Wang, L., Gu, Q., et al. (2019) · Angewandte Chemie International Edition · doi:10.1002/anie.201812795 · Cited by 53
Semimetallicity of free-standing hydrogenated monolayer boron from MgB 2
Tateishi, I., Cuong, N. T., Moura, C. A. S., Cameau, M., Ishibiki, R., Fujino, A., Okada, S., Yamamoto, A., Araki, M., Ito, S., et al. (2019) · Physical Review Materials · doi:10.1103/physrevmaterials.3.024004 · Cited by 51
Self-citationCallsen, M., & Hamada, I. (2015) · Physical Review B · doi:10.1103/physrevb.91.195103 · Cited by 49
Self-citationPlatinum single-atom adsorption on graphene: a density functional theory study
Wella, S. A., Hamamoto, Y., Suprijadi, S., Morikawa, Y., & Hamada, I. (2019) · Nanoscale Advances · doi:10.1039/c8na00236c · Cited by 37
Self-citationA systematic examination of classical and multi-center bonding in heteroborane clusters
Melichar, P., Hnyk, D., & Fanfrlík, J. (2017) · Physical Chemistry Chemical Physics · doi:10.1039/c7cp07422k · Cited by 36
Mechanism of the Hydrolysis of Diborane in the Vapor Phase1
Weiss, H. G., & Shapiro, I. O. (1953) · Journal of the American Chemical Society · doi:10.1021/ja01101a061 · Cited by 35
A theoretical study of several fully hydrogenated borophenes
Shao, L., Duan, X., Li, Y., Yuan, Q., Gao, B., Ye, H., & Ding, P. (2019) · Physical Chemistry Chemical Physics · doi:10.1039/c9cp00468h · Cited by 21
Chemical Syntheses of Two-Dimensional Boron Materials
Chen, X., Chen, X.-M., Chen, X., & Chen, X. (2020) · Chem · doi:10.1016/j.chempr.2020.01.001 · Cited by 15
An MO study of bridge bonds in B2H6
Yamabe, S., Minato, T., Fujimoto, H., & Fukui, K. (1974) · Theoretical Chemistry Accounts · doi:10.1007/bf00527475 · Cited by 12
The electronic and transport properties of borophane with defects: A first principles study
Sun, J., Zhang, Y., Leng, J., & Ma, H. (2017) · Physica E Low-dimensional Systems and Nanostructures · doi:10.1016/j.physe.2017.11.012 · Cited by 11
Ab initio molecular dynamics study of the hydrolysis reaction of diborane
Pietro, E. D., Cardini, G., & Schettino, V. (2007) · Physical Chemistry Chemical Physics · doi:10.1039/b705649d · Cited by 10
Research works printed but not linked: 1
- Rojas, K. I. M. et al. Chemical stability of hydrogen boride nanosheets in water. Materials Cloud Archive 2021.87 https://doi.org/10.24435/materialscloud:40-28 (2021). · DOI
Metadata
- Authors
- Rojas, K. I. M., Cuong, N. T., Nishino, H., Ishibiki, R., Ito, S.-I., Miyauchi, M., Fujimoto, Y., Tominaka, S., Okada, S., Hosono, H., Arboleda, N. B., Kondo, T., Morikawa, Y., & Hamada, I.
- Venue
- Communications Materials
- Published
- 2021-07-23
- Volume
- 2
- Issue
- 1
- ISSN
- 2662-4443
- Cited by
- 40
- References
- 51
- Language
- en
- Licence
- creativecommons.org/licenses/by/4.0 (tdm)
- creativecommons.org/licenses/by/4.0 (vor)
- Funders
- DOST | National Research Council of the Philippines
- MEXT | Japan Society for the Promotion of Science (JP18K18989, JP19H02551, JP19H05046, JP21H00015, JPMXP0112101001, JP20H02569, JP18H05519)
- Kumagai Foundation for Science and Technology
- Ogasawara Foundation for the Promotion of Science and Engineering
- - Samco foundations for the Promotion of Science & Engineering - MHI Innovation Accelerator LLC
- The Tokyo Electron Ltd
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.