{"id":11065,"date":"2024-06-21T13:37:36","date_gmt":"2024-06-21T20:37:36","guid":{"rendered":"https:\/\/faculty.engineering.asu.edu\/zhuang\/?page_id=11065"},"modified":"2026-04-07T09:46:46","modified_gmt":"2026-04-07T16:46:46","slug":"publications","status":"publish","type":"page","link":"https:\/\/faculty.engineering.asu.edu\/zhuang\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"
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Publications<\/h1>\n\n<\/div><\/div>\n\n\n
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  1. Large language model assisted discovery of optimal dopants for enhanced thermoelectric performance in CoSb3-based Skutterudites
    <\/em>Y. Bandyopadhyay, D. N. Serrao, and H. L. Zhuang
    arxiv.org<\/li>\n\n\n\n
  2. AI and 3D printing help researchers create heat\u2011 and pressure\u2011resistant materials for aerospace and defense applications
    <\/em>H. L. Zhuang and V. Rielli
    The Conversation<\/em> (2026). [doi: 10.64628\/AAI.rjqc4cr7j]<\/a><\/li>\n\n\n\n
  3. Low-temperature dithiocarbamate synthesis of medium entropy sulfide (MoWCoNi)xSy on temperature-sensitive CdS and its use as co-catalyst for photocatalytic hydrogen evolution<\/em>
    Y. Chen, B. Fickl, M. Nastran, S. Myakala, O. Lanaridi, H. Rabl, F. Steiner, M. Hofer, T. Liu, D. Apaydin, Y. Su, H. L. Zhuang, A. Limbeck, A. Cherevan, D. Eder, and B. Bayer
    submitted <\/em>(2026).<\/li>\n\n\n\n
  4. Combining reinforcement learning with graph convolutional neural networks for efficient design of TiAl\/TiAlN interfaces
    <\/em>X. Y. Jiang, H. Sun, Q. Nian, and H. L. Zhuang
    Journal of the American Ceramic Society<\/em>, 108, e20590 (2025).     [doi: 10.1111\/jace.20590]<\/a><\/li>\n\n\n\n
  5. Kolmogorov-Arnold neural networks for high-entropy alloys design
    <\/em>Y. Bandyopadhyay, H. Avlani, and H. L. Zhuang
    Modelling and Simulation in Materials Science and Engineering<\/em>, 33, 035005 (2025).     [doi: 10.1088\/1361-651X\/adbb83]<\/a><\/li>\n\n\n\n
  6. Interpretable ensemble learning for materials property prediction with classical interatomic potentials: Carbon as an example
    <\/em>X. Y. Jiang, H. Sun, K. Choudhary, H. L. Zhuang, and Q. Nian
    npj Computational Materials, <\/em>11, 319 (2025).     [doi: 10.1038\/s41524-024-01468-3]<\/a><\/li>\n\n\n\n
  7. H2O and CO2 sorption in ion exchange sorbents: distinct interactions in amine versus quaternary ammonium materials
    <\/em>G. Najaf Tomaraei, Golnaz, S. Binney, R. Stratton, H. L. Zhuang, and J. Wade
    ACS Applied Materials & Interfaces, <\/em>17, 53547 (2025).     [doi: 10.1021\/acsami.5c12939]<\/a><\/li>\n\n\n\n
  8. Tuning the water interlayer spacer of microwave-synthesized holey graphene films towards high performance supercapacitor application
    <\/em>K. Bi, X. Jiang, H. Sun, Y. Dou, D. Wang, X. Zhang, Y. Wang, Y. Liao, K. Jin, H. L. Zhuang, W. Kang, and Q. Nian
    2D Materials, <\/em>11, 035021 (2024).     [doi: 10.1088\/2053-1583\/ad42ae]<\/a><\/li>\n\n\n\n
  9.  Multi-principal element materials: structure, property, and processing
    <\/em>H. L. Zhuang, Z. Yu, L. Li, Y.-J. Wang and L. K. B\u00e9land
    Journal of Applied Physics<\/em>, 135, 010401 (2024).     [doi: 10.1063\/5.0191748]<\/a><\/li>\n\n\n\n
  10. Vibrational properties of one-dimensional disordered hyperuniform atomic chains
    <\/em>H. L. Zhuang, D. Chen, L. Liu, D. Keeney, G. Zhang, and Y. Jiao
    Journal of Physics: Condensed Matter, <\/em>36, 285703 (2024).     [doi: 10.1088\/1361-648X\/ad3b5c]<\/a><\/li>\n\n\n\n
  11. A phenomenological model for interstitial hydrogen absorption in niobium
    <\/em>A. Ramachandran, H. L. Zhuang, and K. Lackner
    JOM, <\/em>76, 3128 (2024).     [doi:10.1007\/s11837-024-06516-3]<\/a><\/li>\n\n\n\n
  12.  A Non-aqueous eutectic electrolyte for rechargeable iron batteries
    <\/em>R. Vadthya, N. Poornabodha, H. L. Zhuang, and S. Wei
    ACS Applied Energy Materials,<\/em> 7, 3876 (2024).     [doi:10.1021\/acsaem.4c00263]<\/a><\/li>\n\n\n\n
  13.  Applications and Manufacturing of multi-functional holey two-dimensional nanomaterials \u2013 a review
    <\/em>D. Wang, Y. Dou, X. Zhang, K. Bi, I. Panneerselvam, H. Sun, X. Jiang, R. Dai, K. Song, H. L. Zhuang, Y. Lu, Y. Wang, Y. Liao, L. Ding, and Q. Nian
    Nano Today, <\/em>55, 102162 (2024).     [doi: 10.1016\/j.nantod.2024.102162]<\/a><\/li>\n\n\n\n
  14. Quantum machine-learning phase prediction of high-entropy alloys<\/em>
    P. Brown and H. L. Zhuang
    Materials Today, <\/em>63, 18 (2023).     [doi:10.1016\/j.mattod.2023.02.014]<\/a>
    Highlighted as the     coverage page<\/a> article.<\/li>\n\n\n\n
  15. Spin scattering and Hall effects in monolayer Fe3GeTe2
    <\/em>L. Yu, J.-X. Yu, J. Zang, R. K. Lake, H. L. Zhuang, and G. Yin
    Physical Review B, 108, 134425<\/em> (2023).     [doi:10.1103\/PhysRevB.108.134425]<\/a><\/li>\n\n\n\n
  16. Chemical short\u2013range order in complex concentrated alloys
    <\/em>W. Chen, L. Li, Q. Zhu, and H. L. Zhuang
    Materials Research Bulletin, <\/em>48, 762 (2023).     [doi: 10.1557\/s43577-023-00575-8]<\/a><\/li>\n\n\n\n
  17. Disordered hyperuniform solid state materials<\/em>
    D. Chen, H. L. Zhuang, M. Chen, P. Huang, V. Vlcek, and Y. Jiao
    Applied Physics Review, 10, 021310 <\/em>(2023).     [doi:10.1063\/5.0137187]<\/a><\/li>\n\n\n\n
  18. Multihyperuniform long-range order in medium-entropy alloys<\/em>
    D. Chen, X. Jiang, D. Wang, J. Ilyssa Vidallon, H. L. Zhuang, and Y. Jiao
    Acta Materialia, <\/em>246, 118678 (2023).     [doi:10.1016\/j.actamat.2023.118678]<\/a><\/li>\n\n\n\n
  19. Sudoku-inspired high-Shannon-entropy alloys<\/em>
    H. L. Zhuang
    Acta Materialia<\/em>, 225, 117556 (2022).     [doi:10.1016\/j.actamat.2021.117556]<\/a><\/li>\n\n\n\n
  20. Disordered hyperuniform quasi-1D materials<\/em>
    D. Chen, Y. Liu, Y. Zheng, H. L. Zhuang, M. Chen, and Y. Jiao
    Physical Review B, <\/em>106, 235427 (2022).     [doi:10.1103\/PhysRevB.106.235427]<\/a><\/li>\n\n\n\n
  21. Understanding the mechanism of shockwave induced graphite-to-diamond phase transition<\/em>
    H. Sun, X. Jiang, L. Liu, Z. Wang, X. Zhang, H. L. Zhuang, Y. Liao, and Q. Nian
    Materialia<\/em>, 24, 101487 (2022).     [doi:10.1016\/j.mtla.2022.101487]<\/a><\/li>\n\n\n\n
  22. Scalable nanomanufacturing of holey graphene via chemical etching: an investigation on process mechanisms<\/em>
    K. Bi, D. Wang, R. Dai, L. Liu, Y. Wang, Y. Lu, Y. Liao, H. L. Zhuang, and Q. Nian
    Nanoscale, <\/em>14, 4762 (2022).     [doi:10.1039\/D1NR08437B]<\/a><\/li>\n\n\n\n
  23. From evidence to new high-entropy alloys
    <\/em>H. L. Zhuang
    Nature Computational Science<\/em>, 1, 458 (2021).     [doi:10.1038\/s43588-021-00100-4]<\/a><\/li>\n\n\n\n
  24. Spin qubit based on the nitrogen-vacancy center analog in a diamond-like compound C3<\/sub>BN<\/em>
    D. Wang, L. Liu, and H. L. Zhuang
    Journal of Applied Physics<\/em>, 130, 225702 (2021).     [doi:10.1063\/5.0074320]<\/a><\/li>\n\n\n\n
  25. Stone-Wales defects preserve hyperuniformity in amorphous two-dimensional networks<\/em>
    D. Chen, Y. Zheng, L. Liu, G. Zhang, M. Chen, Y. Jiao, and H. L. Zhuang
    Proceedings of the National Academy of Sciences<\/em>, 118, e2016862118 (2021).     [doi:10.1073\/pnas.2016862118]<\/a><\/li>\n\n\n\n
  26. Dual-salt-additive electrolyte enables high-voltage lithium metal full batteries capable of fast-charging ability<\/em>
    X. Wang, S. Li, W. Zhang, D. Wang, Z. Shen, J. Zheng, H. L. Zhuang, Y. He, and Y. Y. Lu
    Nano Energy<\/em>, 89, 106353 (2021).     [doi:10.1016\/j.nanoen.2021.106353]<\/a><\/li>\n\n\n\n
  27. Nanosecond laser shock detonation of nanodiamonds: from laser-matter interaction to graphite-to-diamond phase transition<\/em>
    X. Zhang, H. Sun, B. Mao, R. Dai, H. L. Zhuang, Y. Liao, and Q. Nian
    International Journal of Extreme Manufacturing<\/em>, 4, 015401 (2021).     [doi: 10.1088\/2631-7990\/ac37f1]<\/a><\/li>\n\n\n\n
  28. Ultrahigh-rate and long-life zinc-metal anodes enabled by self-accelerated cation migration
    <\/em>P. Zou, R. Zhang, L. Yao, J. Qin, K. Kisslinger, H. L. Zhuang, and H. L. Xin
    Advanced Energy Materials<\/em>, 11, 2100982 (2021).     [doi:10.1002\/aenm.202100982]<\/a><\/li>\n\n\n\n
  29. Nearly hyperuniform density fluctuations in defected two-dimensional transition metal dichalcogenides
    <\/em>D. Chen, Y. Zheng, C.-H. Lee, S. Kang, W. Zhu, H. L. Zhuang, P. Y. Huang, and Y. Jiao
    Physical Review B<\/em>, 103, 224102 (2021).     [doi:10.1103\/PhysRevB.103.224102]<\/a><\/li>\n\n\n\n
  30. Topological transformation in pentagonal 2D materials induced by Stone-Wales defects<\/em>
    Y. Zheng, D. Chen, L. Liu, M. Chen, H. L. Zhuang, and Y. Jiao
    Physical Review B<\/em>, 103, 245413 (2021).     [doi:10.1103\/PhysRevB.103.245413]<\/a><\/li>\n\n\n\n
  31. A tribute to Emily A. Carter<\/em>
    H. L. Zhuang, J. Keith, and T. Martinez
    Journal of Physical Chemistry A<\/em>, 125, 1669 (2021).     [doi: 10.1221\/acs.jpca.0c10468]<\/a><\/li>\n\n\n\n
  32. Lithium-aluminum-phosphate coating enables 4.6 V cycling performance of LiCoO2<\/sub> at room temperature and beyond
    <\/em>X. Wang, S. Li, Z. Tong, D. Wang, X. Wang, H. L. Zhuang, and Y. Y. Lu
    Energy Storage Materials<\/em>, 37, 67 (2021).     [doi: 10.1016\/j.ensm.2021.01.031]<\/a><\/li>\n\n\n\n
  33. An integrated methodology for screening hydrogen evolution reaction catalysts: Pt\/Mo2C as an example<\/em>
    A. J. Tkalych, H. L. Zhuang, and E. A. Carter
    Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile (In Honor of William A. Goddard\u2019s Contributions to Science and Engineering)<\/em>, Vol. 284, Richard Muller & Sadasivan Shankar, Eds. (Springer Series in Materials Science), ISBN 978-3-030-18777-4 (2021).     [doi: 10.1007\/978-3-030-18778-1_31]<\/a><\/li>\n\n\n\n
  34. A percolation theory for designing corrosion resistant alloys<\/em>
    Y. Xie, D. Artymowicz, P. Lopez, D. Wang, A. Aiello, J. Hart, M. Taheri, H. L. Zhuang, R. Newman, and K. Sieradzki
    Nature Materials<\/em>, 20, 789 (2021).     [doi:10.1038\/s41563-021-00920-9]<\/a><\/li>\n\n\n\n
  35. Electrical and thermal transport properties of medium-entropy Siy<\/sub>Gey<\/sub>Snx<\/sub> alloys<\/em>
    D. Wang, L. Liu, M. Chen, and H. L. Zhuang
    Acta Materialia<\/em>, 199, 443 (2020).     [doi:10.1016\/j.actamat.2020.08.053]<\/a><\/li>\n\n\n\n
  36. Disordered hyperuniformity in two-dimensional amorphous silica<\/em>
    Y. Zheng, L. Liu, H. Nan, Z.-X. Shen, G. Zhang, D. Chen, L. He, W. Xu, M. Chen, Y. Jiao, and H. L. Zhuang
    Science Advances<\/em>, 6, eaba0826 (2020).     [doi:10.1126\/sciadv.aba0826]<\/a><\/li>\n\n\n\n
  37. Room temperature synthesis of 2D Janus layers and their Heterostructures<\/em>
    D. B. Trivedi, G. Turgut, Y. Qin, M. Y. Sayyad, D. Hajra, M. Howell, L. Liu, S. Yang, M. Petric, M. Meyer, M. Kremser, M. Barbone, G. Soavi, A. Stier, J. Finley, H. L. Zhuang, K. M\u00fcller, and S. Tongay
    Advanced Materials<\/em>, 32, 2006320 (2020).     [doi:10.1002\/adma.202006320]<\/a><\/li>\n\n\n\n
  38. The joint automated repository for various integrated simulations (<\/em>JARVIS) for data-driven materials design<\/em>
    K. Choudhary,* K.F. Garrity, A.C.E. Reid, B. DeCost, A.J. Biacchi, A.R.H. Walker, Z. Trautt, J. Hattrick-Simpers, A.G. Kusne, A. Centrone, A. Davydov, J. Jiang, R. Pachter, G. Cheon, E. Reed, A. Agrawal, X. Qian, V. Sharma, H. L. Zhuang, S.V. Kalinin, B.G. Sumpter, G. Pilania, P. Acar, S. Mandal, K. Haule, D. Vanderbilt, K. Rabe, and F. Tavazza
    npj Computational Materials<\/em>, 6, 173 (2020).     [doi:10.1038\/s41524-020-00440-1]<\/a><\/li>\n\n\n\n
  39. High-throughput computational characterization of two-dimensional compositionally complex transition-metal chalcogenide alloys<\/em>
    D. Wang, L. Liu, N. Basu, and H. L. Zhuang
    Advanced Theory and Simulations<\/em>, 3, 2000195 (2020).     [doi:10.1002\/adts.202000195]<\/a><\/li>\n\n\n\n
  40. Anomalous behavior of 2D Janus excitonic layers under extreme pressures<\/em>
    H. Li, Y. Qin, B. Ko, D. B. Trivedi, Y. M. Sayad, L. Liu, D. Shim, H. L. Zhuang, and S. Tongay
    Advanced Materials<\/em>, 32, 2002401 (2020).     [doi:10.1002\/adma.202002401]<\/a><\/li>\n\n\n\n
  41. Probing the interactions between interstitial hydrogen atoms in niobium through density functional theory calculations<\/em>
    A. Ramachandran, H. L. Zhuang, and K. Lackner
    Materials Today Communications<\/em>, 25, 101415 (2020).     [doi:10.1016\/j.mtcomm.2020.101415]<\/a><\/li>\n\n\n\n
  42. Synthesis of heteroepitaxial BP and related Al-B-Sb-As films via low temperature CVD of Al(BH4<\/sub>)3<\/sub> and MH3<\/sub> (M = P, As, Sb) at temperatures below 600\u00b0C<\/em>
    P. Sims, P. Wallace, L. Liu, H. L. Zhuang, J. Kouvetakis, and J. Menendez
    Semiconductor Science and Technology<\/em>, 35, 085034 (2020).     [doi:10.1088\/1361-6641\/ab9325]<\/a><\/li>\n\n\n\n
  43. Synthesis of a smart hybrid MXene with switchable conductivity<\/em>
    H. Tran, R. Brilmayer, L. Liu, H. L. Zhuang, C. Hess, A. Andrieu-Brunsen, and C. Birkel
    ACS Applied Nano Materials,<\/em> 3, 4069 (2020).     [doi:10.1021\/acsanm.0c00118]<\/a><\/li>\n\n\n\n
  44. A machine learning-based method of design modular metamaterials<\/em>
    L. Wu, L. Liu, Y. Wang, H. L. Zhuang, D. Krishnaraju, Q. X. Wang, and H. Q. Jiang
    Extreme Mechanics Letters<\/em>, 36, 100657 (2020).     [doi:10.1016\/j.eml.2020.100657]<\/a><\/li>\n\n\n\n
  45. Phase transition across anisotropic NbS3<\/sub> and direct gap semiconductor TiS3<\/sub> at nominal titanium alloying limit<\/em>
    K. Wu, B. Chen, M. Blei, L. Liu, H. Cai, D. Wright, H. L. Zhuang, S. Tongay
    Advanced Materials<\/em>, 32, 2000018 (2020).     [doi:10.1002\/adma.202000018]<\/a><\/li>\n\n\n\n
  46. Ionic liquid-reinforced carbon nanofiber matrix enabled lean-electrolyte Li-S batteries via electrostatic attraction<\/em>
    X. Wang, W. Zhang, D. Wang, H. L. Zhuang, S. Li, L. Fan, L. Li, X. Wang, Y. He, and Y. Y. Lu
    Energy Storage Materials<\/em>, 26, 378 (2020).     [doi:10.1016\/j.ensm.2019.11.008]<\/a><\/li>\n\n\n\n
  47. Scalable and controlled creation of nanoholes in graphene by microwave-assisted chemical etching for improved electrochemical properties<\/em>
    D. Wang, R. Dai, X. Zhang, L. Liu, H. L. Zhuang, Y. Lu, Y. Wang, Y. Liao, and Q. Nian
    Carbon<\/em>, 161, 880 (2020).     [doi:10.1016\/j.carbon.2020.01.076]<\/a><\/li>\n\n\n\n
  48. Semiconducting SiGeSn high-entropy alloy: A density functional theory study<\/em>
    D. Wang, L. Liu, and H. L. Zhuang
    Journal of Applied Physics<\/em>, 126, 225703 (2019).     [doi:10.1063\/1.5135324]<\/a><\/li>\n\n\n\n
  49. Synthesis and fundamental studies of Si-compatible (Si)GeSn and GeSn mid-IR systems with ultrahigh Sn contents<\/em>
    C. Xu, D. Ringwala, D. Wang, L. Liu, C. Poweleit, S. Chang, H. L. Zhuang, J. Men\u00e9ndez, and J. Kouvetakis
    Chemistry of Materials,<\/em>31, 9831 (2019).     [doi:10.1021\/acs.chemmater.9b03909]<\/a><\/li>\n\n\n\n
  50. Toward obtaining 2D and 3D and 1D PtPN with pentagonal pattern
    <\/em>D. Wang, L. Liu, and H. L. Zhuang
    Journal of Materials Science<\/em>, 54, 14029 (2019).     [doi:10.1007\/s10853-019-03886-x]<\/a><\/li>\n\n\n\n
  51. Dimension engineering of single-layer PtN2<\/sub> with the Cairo tessellation<\/em>
    L. Liu, D. Wang, S. Lakamsani, W. Huang, C. Price, and H. L. Zhuang
    Journal of Applied Physics<\/em>, 125, 204302 (2019).     [doi:10.1063\/1.5095239]<\/a><\/li>\n\n\n\n
  52. Computational prediction and characterization of two-dimensional pentagonal arsenopyrite FeAsS
    <\/em>L. Liu and H. L. Zhuang
    Computational Materials Science<\/em>, 166, 105 (2019).     [doi:10.1016\/j.commatsci.2019.04.040]<\/a><\/li>\n\n\n\n
  53. Machine-learning phase prediction of high-entropy alloys
    <\/em>W. Huang, P. Martin, and H. L. Zhuang
    Acta Materialia<\/em>, 169, 225 (2019).     [doi:10.1016\/j.actamat.2019.03.012]<\/a><\/li>\n\n\n\n
  54. From pentagonal geometries to two-dimensional materials
    <\/em>H. L. Zhuang
    Computational Materials Science<\/em>, 159, 448 (2019).     [doi:10.1016\/j.commatsci.2018.12.041]<\/a><\/li>\n\n\n\n
  55. Ab initio <\/em>playing of pentagonal puzzles
    <\/em>L. Liu, I. Kankam, and H. L. Zhuang
    Electronic Structure<\/em>, 1, 015004 (2019).     [doi:10.1088\/2516-1075\/aae303]<\/a><\/li>\n\n\n\n
  56. Single-layer ferromagnetic and piezoelectric CoAsS with pentagonal structure
    <\/em>L. Liu and H. L. Zhuang
    APL Materials<\/em>, 7, 011101 (2019).     [doi:10.1063\/1.5079867]<\/a><\/li>\n\n\n\n
  57. Can an element form a two-dimensional nanosheet of type 15 pentagons?
    <\/em>L. Liu, I. Kankam, and H. L. Zhuang
    Computational Materials Science<\/em>, 154, 37 (2018).     [doi:10.1016\/j.commatsci.2018.07.031]<\/a><\/li>\n\n\n\n
  58. Single-layer antiferromagnetic semiconductor CoS2<\/sub> with pentagonal structure
    <\/em>L. Liu, I. Kankam, and H. L. Zhuang
    Physical Review B<\/em>, 98, 205425 (2018).     [doi:10.1103\/PhysRevB.98.205425]<\/a><\/li>\n\n\n\n
  59. PtP2<\/sub>: An example of exploring the hidden Cairo tessellation in the pyrite structure for discovering novel two-dimensional materials
    <\/em>L. Liu and H. L. Zhuang,
    Physical Review Materials<\/em>, 2, 114003 (2018).     [doi:10.1103\/PhysRevMaterials.2.114003]<\/a><\/li>\n\n\n\n
  60. Anomalous dielectric reponses at intermixed oxide heterointerfaces
    <\/em>V. R. Cooper, H. L. Zhuang, L. Zhang, P. Ganesh, H. Xu, and P. R. C. Kent
    arxiv:1806.08382<\/a><\/li>\n\n\n\n
  61. High-throughput functionalization of single-layer electride Ca2<\/sub>N,
    <\/em>L. Liu and H. L. Zhuang
    Materials Research Express<\/em>, 5, 076306 (2018).     [doi:10.1088\/2053-1591\/aad024]<\/a><\/li>\n\n\n\n
  62. Tunable phase transition in single-layer TiSe2<\/sub> via electric field
    <\/em>L. Liu and H. L. Zhuang
    Journal of Solid State Chemistry<\/em>, 262, 309 (2018).     [doi:10.1016\/j.jssc.2018.03.034]<\/a><\/li>\n\n\n\n
  63. Machine learning for phase selection in multiprincipal element alloys
    <\/em>N. Islam, W. Huang, and H. L. Zhuang
    Computational Materials Science<\/em>, 150, 230 (2018).     [doi:10.1016\/j.commatsci.2018.04.003]<\/a><\/li>\n\n\n\n
  64. Electrochemical surface passivation of LiCoO2<\/sub> particles at ultrahigh voltage and its applications in lithium-based batteries
    <\/em>J. Qian, L. Liu, J. Yang, S. Li, H. L. Zhuang, and Y. Y. Lu
    <\/em>Nature Communications<\/em>, 9, 4918 (2018).     [doi:10.1038\/s41467-018-07296-6]<\/a><\/li>\n\n\n\n
  65. Ultimate control over hydrogen bond formation and reaction rates for scalable synthesis of highly crystalline vdW MOF nanosheets with large aspect ratio
    <\/em>Y. Shen, B. Shan, H. Cai, Y. Qin, A. Agarwal, D. B. Trivedi, B. Chen, L. Liu,  H. L. Zhuang, B. Mu, and S. Tongay
    Advanced Materials<\/em>, 27, 1802497 (2018).     [doi:10.1002\/adma.201802497]<\/a><\/li>\n\n\n\n
  66. Highly crystalline synthesis of tellurene sheets on 2D surfaces: Control over helical chain direction of tellurene
    <\/em>S. Yang, B. Chen, Y. Qin, Y. Zhou, L. Liu, M. Durso, H. L. Zhuang, Y. Shen, and S. Tongay
    Physical Review Materials<\/em>, 2, 104002 (2018).     [doi:10.1103\/PhysRevMaterials.2.104002]<\/a><\/li>\n\n\n\n
  67. Enabling stable lithium metal anode via 3D inorganic skeleton with superlithiophilic interphase
    <\/em>L. Fan, S. Li, L. Liu, W. Zhang, L. Gao, Y. Fu, F. Chen, J. Li, H. L. Zhuang, and Y. Y. Lu
    Advanced Energy Materials<\/em>, 8, 1802350 (2018).     [doi:10.1002\/aenm.201802350]<\/a><\/li>\n\n\n\n
  68. Anomalous isoelectronic chalcogen rejection in 2D anisotropic vdW TiS3(1-<\/sub>x<\/sub><\/em>)<\/sub><\/em>Se3<\/sub>x<\/sub><\/em> trichalcogenides
    <\/em>A. Agarwal, Y. Qin, B. Chen, M. Blei, K. Wu, L. Liu, Y. Shen, D. Wright, M. D. Green, H. L. Zhuang, and S. Tongay
    Nanoscale<\/em>, 10, 15654 (2018).     [doi:10.1039\/C8NR04274H]<\/a><\/li>\n\n\n\n
  69. Abnormal band bowing effects in phase instability crossover region of GaSe1-x<\/sub>Tex<\/sub> nanomaterials<\/em>
    H. Cai, B. Chen, M. Blei, S. L. Y. Chang, K. Wu, H. L. Zhuang, and S. Tongay
    Nature Communications<\/em>, 9, 1927 (2018).     [doi:10.1038\/s41467-018-04328-z]<\/a><\/li>\n\n\n\n
  70. Magnetoelectric and Raman spectroscopic studies of single-crystalline MnCr2<\/sub>O<\/em>4<\/em>
    <\/sub>G. T. Lin, Y. Q. Wang, X. Luo, J. Ma, H. L. Zhuang, D. Qian, L. H. Yin, F. C. Chen, J. Yan, R. R. Zhang, S. L. Zhang, W. Tong, W. H. Song, P. Tong, X. B. Zhu, and Y. P. Sun
    Physical Review B<\/em>, 97, 064405 (2018).     [doi:10.1103\/PhysRevB.97.064405]<\/a><\/li>\n\n\n\n
  71. A \u2018cation-anion regulation\u2019 synergistic anode host for dendrite-free lithium metal batteries<\/em>
    W. Zhang, H. L. Zhuang, L. Fan, L. Gao, and Y. Y. Lu
    Science Advances<\/em>, 4, eaar4410 (2018).     [doi:10.1126\/sciadv.aar4410]<\/a><\/li>\n\n\n\n
  72. Stable lithium electrodeposition at ultra-high current densities enabled by 3D PMF\/Li composite anode<\/em>
    L. Fan, H. L. Zhuang, W. Zhang, Y. Fu, Z. Liao, and Y. Y. Lu
    Advanced Energy Materials<\/em>, 8, 1703360 (2018).     [doi:10.1002\/aenm.201703360]<\/a><\/li>\n\n\n\n
  73. Layered tetragonal zinc chalcogenides for energy-related applications: from photocatalysts for water splitting to electrode materials for Li-ion batteries
    J. Zhou, H. L. Zhuang, and H. Wang
    Nanoscale<\/em>, 9, 17303 (2017).     [doi:10.1039\/C7NR04289B]<\/a><\/li>\n\n\n\n
  74. Computational methods for 2D materials: discovery, property characterization, and application design<\/em>
    J. Paul, A. Singh, Z. Dong, H. L. Zhuang, B. Revard, B. Rijal, M. Ashton, A. Linscheid, M. Blonsky, D. Gluhovic, J. Guo, and R. G. Hennig,
    Journal of Physics: Condensed Matter<\/em>, 29, 473001 (2017).     [doi:10.1088\/1361-648X\/aa9305]<\/a><\/li>\n\n\n\n
  75. Orbital-free density functional theory characterization of the \u03b2<\/em>\u2032-Mg2<\/sub>Al3 <\/sub>Samson phase
    <\/em>H. L. Zhuang, M. Chen, and E. A. Carter
    <\/em>Physical Review Materials<\/em>, 2, 073603 (2018).     [doi:10.1103\/PhysRevMaterials.2.073603]<\/a><\/li>\n\n\n\n
  76. Doping-controlled phase transitions in single-layer MoS<\/em>2<\/em>
    <\/sub>H. L. Zhuang, M. D. Johannes, A. Singh, and R. G. Hennig
    <\/sub> Physical Review B<\/em>, 96, 165305 (2017).     [doi:10.1103\/PhysRevB.96.165305]<\/a><\/li>\n\n\n\n
  77. Prediction and characterization of an Mg-Al intermetallic compound with potentially improved ductility via orbital-free and Kohn-Sham density functional theory<\/em>
    H. L. Zhuang, M. Chen, and E. A. Carter
    Modeling and Simulation in Materials Science and Engineering<\/em>, 25, 075002 (2017).     [doi:10.1088\/1361-651X\/aa7e0c]<\/a><\/li>\n\n\n\n
  78. A density functional+U assessment of oxygen evolution reaction mechanisms on \u03b2-NiOOH<\/em>
    A. Tkalych, H. L. Zhuang, and E. A. Carter
    ACS Catalysis<\/em>, 7, 5329 (2017).     [doi:10.1021\/acscatal.7b00999]<\/a><\/li>\n\n\n\n
  79. Tricritical behavior of the two-dimensional intrinsically ferromagnetic semiconductor CrGeTe3<\/sub><\/em>
    G. T. Lin, H. L. Zhuang, X. Luo, B. J. Liu, F. C. Chen, J. Yan, Y. Sun, J. Zhou, W. J. Lu, P.Tong, Z. G. Sheng, Z. Qu, W. H. Song, X. B. Zhu, and Y. P. Sun
    <\/sub> Physical Review B<\/em>, 95, 245212 (2017).     [doi:10.1103\/PhysRevB.95.245212]<\/a><\/li>\n\n\n\n
  80. Regulating Li deposition at artificial solid electrolyte interphases<\/em>
    L. Fan, H. L. Zhuang, L. Gao, Y. Y. Lu, and L. A. Archer
    Journal of Materials Chemistry A<\/em>, 5, 3483 (2017).     [doi:10.1039\/C6TA10204B]<\/a><\/li>\n\n\n\n
  81. Competing antiferromagnetism in a quasi-2D itinerant ferromagnetic Fe3<\/sub>GeTe2
    <\/sub><\/em>J. Y. Yi, H. L. Zhuang, Q. Zou, Z. Wu, G. Cao, S. Tang, S. A. Calder, P. R. C. Kent, D. Mandrus, and Z. Gai
    2D Materials<\/em>, 4, 011005 (2017).     [doi:10.1088\/2053-1583\/4\/1\/011005]<\/a><\/li>\n\n\n\n
  82. Surface energy as a descriptor of catalytic activity<\/em>
    H. L. Zhuang, A. Tkalych, and E. A. Carter
    Journal of Physical Chemistry C<\/em>, 120, 23698 (2016).     [doi:10.1021\/acs.jpcc.6b09687]<\/a><\/li>\n\n\n\n
  83. Elastic and thermodynamic properties of complex Mg-Al intermetallic compounds via orbital-free density functional theory<\/em>
    H. L. Zhuang, M. Chen, and E. A. Carter
    Physical Review Applied<\/em>, 5, 064021 (2016).     [doi:10.1103\/PhysRevApplied.5.064021]<\/a><\/li>\n\n\n\n
  84. Understanding and tuning the hydrogen evolution reaction on Pt-covered tungsten carbide cathodes<\/em>
    H. L. Zhuang, A. J. Tkalych, and E. A. Carter
    Journal of The Electrochemical Society<\/em>, 163, F629 (2016).     [doi:10.1149\/2.0481607jes]<\/a><\/li>\n\n\n\n
  85. Petascale computations of orbital-free density functional theory enabled by small-box techniques<\/em>
    M. Chen, X. -W. Jiang, H. L. Zhuang, L.-W. Wang, and E. A. Carter
    Journal of Chemical Theory and Computation<\/em>, 12, 2950 (2016).     [doi:10.1021\/acs.jctc.6b00326]<\/a><\/li>\n\n\n\n
  86. Tunable one-dimensional electron gas carrier densities at oxide nanostructured interfaces<\/em>
    H. L. Zhuang,* L. P. Zhang, H. X. Xu, P. R. C. Kent, P. Ganesh,* and V. R. Cooper
    Scientific Reports<\/em>, 6, 25452 (2016).     [doi:10.1038\/srep25452]<\/a><\/li>\n\n\n\n
  87. Strong anisotropy and magnetostriction in 2D Stoner ferromagnet Fe3<\/sub>GeTe2<\/sub><\/em>
    H. L. Zhuang, P. R. C. Kent, and R. G. Hennig
    Physical Review B<\/em>, 93, 134407 (2016).     [doi:10.1103\/PhysRevB.93.134407]<\/a><\/li>\n\n\n\n
  88. Stability and magnetism of strongly correlated single-layer VS2<\/sub><\/em>
    H. L. Zhuang and R. G. Hennig
    Physical Review B<\/em>, 93, 054429 (2016).     [doi:10.1103\/PhysRevB.93.054429]<\/a><\/li>\n\n\n\n
  89. Density functional theory study of bulk and single-layer magnetic semiconductor CrPS4<\/sub><\/em>
    H. L. Zhuang and J. Zhou
    Physical Review B<\/em>, 94, 195307 (2016).     [doi:10.1103\/PhysRevB.94.195307]<\/a><\/li>\n\n\n\n
  90. Chloride-reinforced carbon nanofiber host as effective polysulfide traps in lithium-sulfur batteries<\/em>
    L. Fan, H. L. Zhuang, K. Zhang, V. Cooper, Q. Li, and Y. Y. Lu
    Advanced Science<\/em>, 3, 1600175 (2016).     [doi:10.1002\/advs.201600175]<\/a><\/li>\n\n\n\n
  91. Ultrathin nanosheets of CrSiTe3<\/sub>: a semiconducting two-dimensional ferromagnetic material<\/em>
    M-W. Lin, H. L. Zhuang, J. Q. Yan, T. Z. Ward, J. Yan, A. A. Puretzky, C. M. Rouleau, Z. Gai, L. Liang, V. Meunier, B. Sumpter, P. Ganesh, P. R. C. Kent, D. B. Geohegan, D. Mandrus, K. Xiao
    Journal of Materials Chemistry C<\/em>, 4, 315 (2016).     [doi:10.1039\/C5TC03463A]<\/a><\/li>\n\n\n\n
  92. First-Principles study on the 1T phase of GaX (X = S, Se) monolayers<\/em>
    J. Zhou and H. L. Zhuang
    ChemistrySelect<\/em>, 1, 5779 (2016).     [doi:10.1002\/slct.201601144]<\/a><\/li>\n\n\n\n
  93. Oxygen vacancy diffusion in bulk SiTiO3<\/sub> from density functional theory calculation<\/em>
    L. P. Zhang, B. Liu, H. L. Zhuang, P. R. C. Kent, V. R. Cooper, P. Ganesh, and H. X. Xu
    Computational Materials Science<\/em>, 118, 309 (2016).     [doi:10.1016\/j.commatsci.2016.02.041]<\/a><\/li>\n\n\n\n
  94. Interface orbital engineering of large-gap topological states: decorating gold in Si (111) surface<\/em>
    B. Huang, K. -H. Jin, H. L. Zhuang, L. Zhang, and F. Liu
    Physical Review B<\/em>, 93, 115117 (2016).     [doi:10.1103\/PhysRevB.93.115117]<\/a><\/li>\n\n\n\n
  95. Enhanced Li-S batteries using Amine-functionalized CNT in the cathode<\/em>
    L. Ma, H. L. Zhuang, S. Wei, K. E. Hendrickson, M. S. Kim, G. Cohn, R. G. Hennig, and L. A. Archer
    ACS Nano<\/em>, 10, 1050 (2016).     [doi:10.1021\/acsnano.5b06373]<\/a><\/li>\n\n\n\n
  96. Hybrid cathode architectures for lithium batteries based on TiS2<\/sub> and sulfur<\/em>
    L. Ma, S. Wei, H. L. Zhuang, K. E. Hendrickson, R. G. Hennig, and L. A. Archer
    Journal of Materials Chemistry A<\/em>, 3, 19857 (2015).     [doi:10.1039\/C5TA06348E]<\/a><\/li>\n\n\n\n
  97. Ab-initio <\/em>prediction of piezoelectricity in two-dimensional materials
    M. N. Blonsky, H. L. Zhuang, A. Singh, and R. G. Hennig
    ACS Nano<\/em>, 9, 9885 (2015).     [doi:10.1021\/acsnano.5b03394]<\/a><\/li>\n\n\n\n
  98. Rashba effect in single-layer antimony telluroiodide SbTeI<\/em>
    H. L. Zhuang, V. R. Cooper, H. X. Xu, P. Ganesh, R. G. Hennig, and P. R. C. Kent
    Physical Review B<\/em>, 92, 115302 (2015).     [doi:10.1103\/PhysRevB.92.115302]<\/a><\/li>\n\n\n\n
  99. Computational discovery of ferromagnetic semiconducting single-layer CrSnTe3<\/sub><\/em>
    H. L. Zhuang, Y. Xie, P. R. C. Kent, and P. Ganesh
    Physical Review B<\/em>, 92, 035407 (2015).     [doi:10.1103\/PhysRevB.92.035407]<\/a><\/li>\n\n\n\n
  100. Highly stable two-dimensional silicon phosphides: different stoichiometries and exotic electronic properties<\/em>
    B. Huang, H. L. Zhuang, M. Yoon, B. G. Sumpter, and S-H. Wei
    Physical Review B<\/em>, 91, 121401(R) (2015).     [doi:10.1103\/PhysRevB.91.121401]<\/a><\/li>\n\n\n\n
  101. Strong spin-lattice coupling in CrSiTe3<\/sub><\/em>
    L. D. Casto, A. J. Clune, M. Yokosuk, J. L. Musfeldt, T. J. Williams, H. L. Zhuang, M.W. Lin, K. Xiao, R. G. Hennig, B. C. Sales, J. Q. Yan, D. Mandrus
    APL Materials<\/em>, 3, 041515 (2015).     [doi:10.1063\/1.4914134]<\/a><\/li>\n\n\n\n
  102. Computational screening of single-layer materials for photocatalysis<\/em>
    A. K. Singh, M. Kiran, H. L. Zhuang, and R. G. Hennig
    Journal of Physical Chemistry Letters<\/em>, 6, 1087 (2015).     [doi:10.1021\/jz502646d]<\/a><\/li>\n\n\n\n
  103. Prediction and characterization of MXene nanosheet anodes for non-lithium-ion batteries<\/em>
    Y. Xie, Y Dall\u2019Agnese, M. Naguib, Y. Gogotsi, H. L. Zhuang, and P. R. C. Kent
    ACS Nano<\/em>, 8, 9606 (2014).     [doi:10.1021\/nn503921j]<\/a><\/li>\n\n\n\n
  104. Understanding the interactions between oxygen vacancies at SrTiO3<\/sub> (001) surfaces<\/em>
    H. L. Zhuang, P. Ganesh, V. R. Cooper, H. X. Xu, and P. R. C. Kent
    Physical Review B<\/em>, 90, 064106 (2014).     [doi:10.1103\/PhysRevB.90.064106]<\/a><\/li>\n\n\n\n
  105. Tethered molecular sorbents: enabling lithium-sulfur battery cathodes<\/em>
    L. Ma, H. L. Zhuang, Y. Lu, S.S. Moganty, R. G. Hennig, and L. A. Archer
    Advanced Energy Materials<\/em>, 4, 1400390 (2014).     [doi:10.1002\/aenm.201470090]<\/a><\/li>\n\n\n\n
  106. Ab-initio <\/em>synthesis of single-layer III-V materials
    A. Singh, H. L. Zhuang, and R. G. Hennig
    Physical Review B<\/em>, 89, 245431 (2014).     [doi:10.1103\/PhysRevB.89.245431]<\/a><\/li>\n\n\n\n
  107. Computational discovery, characterization and design of single-layer materials<\/em>
    H. L. Zhuang and R. G. Hennig
    JOM<\/em>, 66, 366 (2014).     [doi:10.1007\/s11837-014-0885-3]<\/a><\/li>\n\n\n\n
  108. Computational prediction and characterization of single-layer CrS2<\/sub><\/em>
    H. L. Zhuang, M. D. Johannes, M. N. Blonsky, and R. G. Hennig
    Applied Physics Letters<\/em>, 104, 022116 (2014).     [doi:10.1063\/1.4861659]<\/a><\/li>\n\n\n\n
  109. Computational identification of single-layer CdO for electronic and optical applications<\/em>
    H. L. Zhuang and R. G. Hennig,
    Applied Physics Letters<\/em>, 103, 212102 (2013).     [doi:10.1063\/1.4831972]<\/a><\/li>\n\n\n\n
  110. Single-layer group-III monochalcogenide photocatalysts for water splitting<\/em>
    H. L. Zhuang and R. G. Hennig
    Chemistry of Materials<\/em>, 25, 3232 (2013).     [doi:10.1021\/cm401661x]<\/a><\/li>\n\n\n\n
  111. Computational search for single-layer transition-metal dichalcogenide photocatalysts<\/em>
    H. L. Zhuang and R. G. Hennig
    Journal of Physical Chemistry C<\/em>, 117, 20440 (2013).     [doi:10.1021\/jp405808a]<\/a><\/li>\n\n\n\n
  112. Theoretical perspective of photocatalytic properties of single-layer SnS2<\/sub><\/em>
    H. L. Zhuang and R. G. Hennig
    Physical Review B<\/em>, 88, 115314 (2013).     [doi:10.1103\/PhysRevB.88.115314]<\/a><\/li>\n\n\n\n
  113. Computational discovery of single-layer III-V materials<\/em>
    H. L. Zhuang, A. Singh, and R. G. Hennig
    Physical Review B<\/em>, 87, 165425 (2013).     [doi:10.1103\/PhysRevB.87.165415]<\/a><\/li>\n\n\n\n
  114. Accuracy of exchange-correlation functionals and effects of solvation on the surface energy of copper<\/em>
    M. Fishman, H. L. Zhuang, K. Mathew, W. Dirschka, and R. G. Hennig
    Physical Review B<\/em>, 87, 245402 (2013).     [doi:10.1103\/PhysRevB.87.245402]<\/a><\/li>\n\n\n\n
  115. Electronic structures of single-layer boron pnictides<\/em>
    H. L. Zhuang and R. G. Hennig
    Applied Physics Letters<\/em>, 101, 153109 (2012).     [doi:10.1063\/1.4758465]<\/a><\/li>\n\n\n\n
  116. Angle-resolved Raman imaging of interlayer rotations and interactions in twisted bilayer graphene<\/em>
    R. W. Havener, H. L. Zhuang, L. Brown, R. G. Hennig, and J. Park
    Nano Letters<\/em>, 12, 3162 (2012).     [doi:10.1021\/nl301137k]<\/a><\/li>\n\n\n\n
  117. Softened elastic response and unzipping in chemical vapor deposition graphene membranes<\/em>
    C. S. Ruiz-Vargas, H. L. Zhuang, P. Y. Huang, A. M. van der Zande, S. Garg, P. L. McEuen, D.A. Muller, R. G. Hennig, and J. Park
    Nano Letters<\/em>, 11, 2259 (2011).     [doi:10.1021\/nl200429f]<\/a><\/li>\n\n\n\n
  118. Interactions between transition metals and defective carbon nanotubes<\/em>
    H. L. Zhuang, G. P. Zheng, and A. K. Soh
    Computational Materials Science<\/em>, 43, 823 (2008).     [doi:10.1016\/j.commatsci.2008.01.071]<\/a><\/li>\n\n\n\n
  119. Magneto-mechanical coupling behavior of defective single-walled carbon nanotubes<\/em>
    G. P. Zheng and H. L. Zhuang
    Nanotechnology<\/em>, 19, 325701 (2008).     [doi:10.1088\/0957-4484\/19\/32\/325701]<\/a><\/li>\n\n\n\n
  120. Enhanced mechanical strength and ductility of metal-repaired defective carbon nanotubes: A density functional study<\/em>
    G. P. Zheng and H. L. Zhuang
    Applied Physics Letters<\/em>, 92, 191902 (2008).     [doi:10.1063\/1.2924275]<\/a><\/li>\n<\/ol>\n<\/div>\n<\/div>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":3,"featured_media":0,"parent":0,"menu_order":3,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"footnotes":""},"class_list":["post-11065","page","type-page","status-publish","hentry"],"acf":[],"_links":{"self":[{"href":"https:\/\/faculty.engineering.asu.edu\/zhuang\/wp-json\/wp\/v2\/pages\/11065","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/faculty.engineering.asu.edu\/zhuang\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/faculty.engineering.asu.edu\/zhuang\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/faculty.engineering.asu.edu\/zhuang\/wp-json\/wp\/v2\/users\/3"}],"replies":[{"embeddable":true,"href":"https:\/\/faculty.engineering.asu.edu\/zhuang\/wp-json\/wp\/v2\/comments?post=11065"}],"version-history":[{"count":4,"href":"https:\/\/faculty.engineering.asu.edu\/zhuang\/wp-json\/wp\/v2\/pages\/11065\/revisions"}],"predecessor-version":[{"id":11202,"href":"https:\/\/faculty.engineering.asu.edu\/zhuang\/wp-json\/wp\/v2\/pages\/11065\/revisions\/11202"}],"wp:attachment":[{"href":"https:\/\/faculty.engineering.asu.edu\/zhuang\/wp-json\/wp\/v2\/media?parent=11065"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}