Under Preparation
[1] J.-T. Ye et al., Revealing the multilateral effects of electronic correlation on the stability and diffusion of environmental impurities in transition-metal oxides, (2024).
[2] T.-Z. Zhang et al., Interfacial coupling leading to the dynamical galvanic-corrosion effect of 2D coatings on metals, (2024).
[3] T.-Y. Sun, Combinatorial optimization for the multiphysics-dependent hydrophilicity of AT by doping, (2024).
[4] Y. Wu et al., Intermeshing xx interface towards reinforced strength and improved erosion-corrosion resistance of yy coating, (2024).
[5] J. Bi#, T.-Y. Sun#, Y. Song, X. Liu, F. Wen, R. Zhang, P. Shafer, E. Arenholz, Y. Zhu, Z. Wang*, L.-F. Huang*, Y. Cao*, J. Chakhalian, Unusual electronic structure of an artificial two-dimensional polar metal, (2024).
[6] Y. W. Cao et al., Lattice relaxation-induced enhancement of superconductivity in TiN single-crystal films, (2025).
[2025]
[87] Y.-Q. Zhou#, Z. Guo#, J. Bi*, J.-T. Ye, M. Ge, Y. Lin, S. Xiao, Y. Cao, L. Wang*, L.-F. Huang*, Unifying the atomistic trends for early-stage evolution of TiN surfaces in atmospheric and aqueous environments, (2024) under revision.
[86] K. Liu#, L. Lei#, J. Ye#, K. Deng, T. Bo, X. Han, X. Guo, X. Guo, L. Huang*, D. Wang*, Chlorine-facilitated amorphous Co-based catalyst with self-termination of surface reconstruction for seawater splitting, (2024) under review.
[85] M. Qin#, J. Ye#, G. Ma, Z. Fan, L. Huang*, X. Xin*, Efficient bifunctional water splitting on highly exposed Ni-Fe phosphide heterostructures with self-adaptive surface passivation, (2024) under review.
[84] X. Fan#, Z. Zhang#, Q. He, Y. Lin, L.-F. Huang, S. Ren*, J. Pu*, Q. Xue, Enhancing irradiation tolerance and inducing superlubricity in MoS2/metal multilayer films under space conditions, (2024) under review.
[83] C. Ye, Q. Tian, Y. She, Y. Zhu, D. Dai, M. Wu, Q. Yan, W. Chu, T. Cai, Xu. Gui, J. Yu, H. Li, N. Jiang, W. Zhao, L.-F. Huang*, L. Fu*, C.-T. Lin*, Anticorrosive two-dimensional heterostructured nanocoatings self-assembled on steel with multiple desired merits, Journal of Colloid and Interface Science 679, 1016-1025 (2025).
[2024]
[82] Q. He, T.-Y. Sun, L.-F. Huang*, Chemical-bonding and lattice-deformation mechanisms unifying the stability and diffusion trends of hydrogen in TiN and AlN polymorphs, Acta Materialia 281, 120447 (2024).
[81] Q. He, D. Liu, Y. Zhou, T.-Y. Sun, L.-F. Huang*, Nitride coatings for environmental barriers: the key microscopic mechanisms and momentous applications of first-principles calculations, Surface Science and Technology 2, 24 (2024). [QSHe_SST_2024.pdf]
[80] S. Zhang#, T.-Y. Sun#, Z. Wang, R. Zhang, Y. Lin, S. Xiao, G. Su, J. Bi, P. Li, H. Zhang, L. Liang, F. Yang, Q. Zhang, L.-F. Huang*, Y. Cao*, Engineering carrier density and effective mass of plasmonic TiN films by tailoring nitrogen vacancies, Nano Letters 24, 12568-12575 (2024).
[79] X. Zhu, Y. Hao, L.-F. Huang, H. Zhao*, L. Wang*, Ultra-robust, highly stretchable and ambient temperature rapid self-healing polyurethane/graphene elastomers enabled by multi-type hydrogen bonds, Journal of Materials Chemistry A 12, 26158-26169 (2024).
[78] N. Zhang, Q. He, L. Zhang, J. Zhang, L. Huang*, X. Yao*, Homogeneous fluorine doping toward highly conductive and stable Li10GeP2S12 solid electrolyte for all-solid-state lithium batteries, Advanced Materials 36, 2408903 (2024).
[77] Z. Guo#, M. Ge#, Y.-Q. Zhou#, J. Bi*, Q. Zhang, J. Zhang, J.-T. Ye, R. Zhai, F. Ge, Y. Huang, R. Zhang, X. Yao, L.-F. Huang*, Y. Cao*, High resistance of superconducting TiN thin films against environmental attack, Materials Horizons 11, 5972-5982 (2024). [Back-Cover Article]
[76] T.-Y. Sun, J.-T. Ye, G. Zhang*, H. Li, R. Qiu*, L.-F. Huang*, Environmental stability of actinide oxides mapped by integrated and accurate first-principles calculations, Journal of Physical Chemistry C 128, 8505-8521 (2024).
[75] Y. Hao, T.-Y. Sun, J.-T. Ye, L.-F. Huang*, L.-P. Wang*, Accurate simulation for 2D lubricating materials in realistic environments: from classical to quantum mechanical methods, Advanced Materials 36, 2312429 (2024).
[74] 郝宇、黄良锋*、王立平*，固体润滑涂层理论研究: 从经典模型到量子力学计算，中国表面工程 37, 1-16 (2024).
[2023]
[73] L.-F. Huang, Y. Xie, K. Sieradzki, J.M. Rondinelli*, Elemental partitioning and corrosion resistance of Ni-Cr alloys revealed by accurate ab-initio thermodynamic and electrochemical calculations, npj Materials Degradation 7, 94 (2023). [LFHuang_NPJMD_2023.pdf] [Supplementary Materials]
[72] G. Ma#, J. Ye#, M. Qin, T. Sun, W. Tan, Z. Fan, L.-F. Huang*, X. Xin*, Mn-doped NiCoP nanopin arrays as high-performance bifunctional electrocatalysis for sustainable hydrogen production via overall water splitting, Nano Energy 115, 108679 (2023).
[71] Y. Hao, L. Wang*, L.-F. Huang*, Lanthanide-doped MoS2 with enhanced oxygen reduction activity and biperiodic chemical trends, Nature Communications 14, 3256 (2023). [YHao_Nature_Commun_2023.pdf]
[70] Y. Jin, Q. He, G. Liu, Z. Gu, M. Wu, T. Sun, Z. Zhang*, L.-F. Huang*, X. Yao*, Fluorinated Li10GeP2S12 enables stable all-solid-state lithium batteries, Advanced Materials 35, 2211047 (2023).
[69] J. Chen#, G. Lu#, Y. Hao, Y. Lu, L.-F. Huang, Y. Zhang*, Bio-based anti-biofoulant with copper(II) as intramolecular catalyst for radicals formation, Advanced Materials Interfaces 10, 2201882 (2023). [JChen_Adv_Mater_Interfaces_2023.pdf]
[2022]
[68] K. Shi#, A. Dutta#, Y. Hao, M. Zhu, L. He, Y. Pan, X. Xin*, L.-F. Huang*, X. Yao*, J. Wu*, Electrochemical polishing: an effective strategy for eliminating Li dendrites, Advanced Functional Materials 32, 2203652 (2022).
[67] Y. Hao, T.-Y. Sun, L.-F. Huang*, Electrochemical catalysis and corrosion of defective MoS2: microscopic behaviors and density-functional-theory calculations, Current Opinion in Electrochemistry 34, 101008 (2022). (Invited Review)
[66] Y. Wu, T.-Y. Sun, T. Ge, W. Zhao*, L.-F. Huang*, Eliminating the galvanic corrosion effect of graphene coating by an accurate and rapid self-assembling defect healing approach, Advanced Functional Materials 32, 2110264 (2022).
[65] H. Zhao, T.-Y. Sun, L.-F. Huang, J. Wei, S. Qiu*, A green strategy for nitrogen-doped polymer nanodots with high oxygen and chloride corrosion resistance in extremely acidic condition, Chemical Engineering Journal 437, 135242 (2022).
[2021]
[64] T.-Y. Sun, Y. Hao, Y. Wu, W. Zhao, L.-F. Huang*, Corrosion resistance of ultrathin two-dimensional coatings: first-principles calculations towards in-depth mechanism understanding and precise material design, Metals 11, 2011 (2021). (Invited Review) [TYSun_Metals_2021.pdf]
[63] R. Zhang, X. Li, F. Meng, J. Bi, S. Zhuang, S. Peng, J. Sun, X. Wang, L. Wu, J. Duan, H. Cao, Q. Zhang*, L. Gu, L.-F. Huang*, Y. Cao*, Wafer-scale epitaxy of flexible conductive nitride films with superior plasmonic and superconducting performance, ACS Applied Materials & Interfaces 13, 60182-60191 (2021).
[62] S. Qiu, T.-Y. Sun, Y. Su, L.-F. Huang, H. Zhao*, Q. Xue, L. Wang*, Construction of hierarchical nanocarrier via a "MOFs plus graphene" strategy for sustained release and rust-induced self-healing, Chemical Engineering Journal 426, 131879 (2021).
[61] L.N. Walters, L.-F. Huang, J.M. Rondinelli*, A first-principles prediction of copper electrochemical oxidation and corrosion under multiple environmental factors, Journal of Physical Chemistry C 125, 14027-14038 (2021).
[60] N.Z. Koocher, L.-F. Huang, J.M. Rondinelli*, Negative thermal expansion in the Ruddlesden-Popper calcium titanates, Physical Review Materials 5, 053601 (2021).
[59] T.-Y. Sun, Y. Hao, C.-T. Lin, L. Wang, L.-F. Huang*, Unraveling the strong coupling between graphene/nickel interface and atmospheric adsorbates for versatile realistic applications, Carbon Trends 2, 100013 (2021). [TYSun_CT_2021.pdf] [SM.pdf]
[58] R. Zhang#, Q.-Y. Ma#, H. Liu, T.-Y. Sun, J. Bi, Y. Song, S. Peng, L. Liang, J. Gao*, H. Cao, L.-F. Huang*, Y. Cao*, Crystal orientation-dependent oxidation of epitaxial TiN films with tunable plasmonics, ACS Photonics 8, 847-856 (2021).
[57] Y. Yang, F. Ma*, T.-Y. Sun, L.-F. Huang, Z. Zeng*, Superhydrophilic Iron Doped Titania Films with Long-lasting Antifogging Performance, ACS Applied Materials & Interfaces 13, 3377-3386 (2021).
[56] C. Ye, Y. Zhu, H. Sun, F. Chen, H. Sun, W. Dai, Q. Wei, L. Fu, A. Yu, M. Yang, L.-F. Huang, J. Yu, N. Jiang, C.-T. Lin*, Layer-by-layer stacked graphene nanocoatings by Marangoni self-assembly for corrosion protection of stainless steel, Chinese Chemical Letters 32, 501-505 (2021).
[2020]
[55] X. Huo, L.-F. Huang*, Physical spread and technical upshift in the band gaps of visible-light photocatalytic bismuth oxyhalide solid solutions, Computational Materials Science 184, 109870 (2020).
[54] Y. Hao, L.-C. Xu*, J. Pu, L. Wang, L.-F. Huang*, Stable zigzag edges of transition-metal dichalcogenides with high catalytic activity for oxygen reduction, Electrochimica Acta 338, 135865 (2020).
[53] S. Ren, Y. Hao, M. Cui, J. Pu, Q. Xue, L.-F. Huang*, L. Wang*, Correlated morphological and chemical mechanisms for the superior corrosion resistance of alumina-deposited 2D nanofilms on copper, Materialia 11, 100697 (2020).
[52] Y. Chen, S. Wang, Y. Hao, J. Pu*, J. Xin, L.-F. Huang, L. Wang, Friction and wear behavior of CrN coating on 316L stainless steel in liquid sodium at elevated temperature, Tribology International 143, 106079 (2020).
[2019]
[51] Y. Hao, P.-L. Gong, L.-C. Xu*, J. Pu, L. Wang, L.-F. Huang*, Contrasting oxygen reduction reactions on zero- and one-dimensional defects of MoS2 for versatile electrochemical applications, ACS Applied Materials & Interfaces 11, 46327-46336 (2019). (Cover Article) [Front_Cover.jpg]
[50] R. Bornovski , L.-F. Huang , E. P. Komarala, J. M. Rondinelli, B. Rosen*, Catalytic enhancement of CO oxidation on LaFeO3 regulated by Ruddlesden-Popper stacking faults, ACS Applied Materials & Interfaces 11, 33850-33858 (2019).
[49] L.-F. Huang, H.M. Ha, K. Lutton Cwalina, J.R. Scully, J.M. Rondinelli*, Underestanding electrochemical stabilites of Ni-compound nanofilms from a comparative theory-experiment approach, Journal of Physical Chemistry C 123, 28925-28940 (2019).
[48] P.-L. Gong, F. Zhang, L. Li, B. Deng, H. Pan*, L.-F. Huang*, and X.Q. Shi*, Highly in-plane anisotropic two-dimensional semiconductors beta-AuSe with multiple superior properties: A first-principles investigation, Journal of Physics: Condensed Matter 31, 395501 (2019).
[47] Y. Hao, L.C. Xu*, Z. Yan, R.P. Liu, X.-Y. Li, J. Pu, and L.-F. Huang*, Chemical optimization towards superior electrocatalysis of Janus 1T-MoSX (X = O, Se, Te) for hydrogen evolution: Small composition tuning makes big difference, Electrochimca Acta 310, 153-161 (2019).
[46] Q. Li, S. Zheng, J. Pu*, J. Sun, L.-F. Huang, L. Wang, and Q. Xue, Thermodynamics and kinetics of oxygen adatom on pristine and functionalized graphene: Insight gained for their anticorrosion, Physical Chemistry Chemical Physics 21, 12121-12129 (2019).
[45] L.-F. Huang, J.R. Scully, and J.M. Rondinelli*, Modelling corrosion with first-principles electrochemical phase diagrams, Annual Review of Materials Research 49, 53-77 (2019). (Invited Review)
[44] L.-F. Huang and J.M. Rondinelli*, Reliable electrochemical phase diagrams of magnetic transition metals and their complex compounds from ab-initio high-throughput calculations, npj Materials Degradation 3, 26 (2019). [LFHuang_NPJMD_2019.pdf]
[2018]
[43] L.-F. Huang, N.Z. Koocher, M. Gu, J.M. Rondinelli*, Structure dependent phase stability and thermal expansion of Ruddlesden-Popper strontium titanates, Chemistry of Materials 30, 7100-7110 (2018).
[42] L. Hu, F. Qin, A. Sanson, L.-F. Huang, P. Zhao, Q. Li, Q. Sun, L. Wang, F. Guo, U. Aydemir, Y. Ren, C. Sun, J. Deng, G. Aquilanti, J.M. Rondinelli, J. Chen*, X. Xing, Localized symmetry breaking for tuning thermal expansion in ScF3 nanoscale framework, Journal of the American Chemical Society 140, 4477-4480 (2018).
[41] P.L. Gong, F. Zhang, L.-F. Huang, H. Zhang, R.C. Xiao, B. Deng, H. Pan, X.Q. Shi*, Multifunctional two-dimensional semiconductors SnP3: Universal mechanism of layer-dependent electronic phase transition, Journal of Physics: Condensed Matter 30, 475702 (2018).
[2017]
[40] L.-F. Huang and J.M. Rondinelli*, Stable MoSi2 nanofilms with tunable and high metallicity, Physical Review Materials 1, R063001 (2017). (Rapid Communications).
[39] L.-F. Huang and J.M. Rondinelli*, Electrochemical phase diagrams of Ni from ab initio simulations: role of exchange interactions on accuracy, Journal of Physics: Condensed Matter 29, 475501 (2017).
[38] L.-F. Huang, R.J. Santucci, M. Hutchinson, J.R. Scully, and J.M. Rondinelli*, Improved electrochemical phase diagrams from theory and experiment: The Ni-water system and its complex compounds, Journal of Physical Chemistry C 121, 9782–9789 (2017).
[37] S. Singh, E. Prestat, L.-F. Huang, J.M. Rondinelli, S.J. Haigh, and B.A. Rosen*, Role of 2D and 3D defects on the reduction of LaNiO3 nanoparticles for catalysis, Scientific Reports 7, 10080 (2017).
[36] P.L. Gong, B. Deng, L.-F. Huang, L. Hu, W. Wang, D. Liu, X. Shi, Z. Zeng, L.J. Zou*, Robust and pristine topological Dirac semimetal phase in pressured two-dimensional black phosphorous, Journal of Physical Chemistry C 121, 20931-20936 (2017).
[2016]
[35] L.-F. Huang, X.Z. Lu, and J.M. Rondinelli*, Tunable negative thermal expansion in layered perovskites from quasi-two-dimensional vibrations, Physical Review Letters 117, 115901 (2016).
[34] L.-F. Huang, X.Z. Lu, E. Tennessen, J.M. Rondinelli*, An efficient ab-initio quasiharmonic approach for the thermodynamics of solids, Computational Materials Science 120, 84-93 (2016). (Editor's Choice) [LFHuang_CMS_2016.pdf]
[33] L.-F. Huang, B. Grabowski*, J. Zhang, M.J. Lai, C.C. Tasan, S. Sandloebes, D. Raabe, J. Neugebauer, From electronic structure to phase diagrams: A bottom-up approach to understand the stability of titanium-transition metal alloys, Acta Materialia 113, 311–319 (2016). [LFHuang_AM_2016.pdf]
[2015]
[32] L.-F. Huang and J.M. Rondinelli*, Electrochemical phase diagrams for Ti oxides from density functional calculations, Physical Review B 92, 245126 (2015).
[31] L.-F. Huang, B. Grabowski*, E. McEniry, D. R. Trinkle, and J. Neugebauer, Importance of coordination number and bond length in titanium revealed by electronic structure investigations, Physica Status Solidi B 252, 1907 (2015). (Editor's Choice & Front Cover) [LFHuang_PSSB_2015.pdf] [Front_Cover.pdf]
[30] L.-F. Huang and Z. Zeng*, Roles of mass, structure, and bond strength in the phonon properties and lattice anharmonicity of single-layer Mo and W dichalcogenides, Journal of Physical Chemistry C 119, 18779 (2015).
[29] L.-F. Huang, P.L. Gong, and Z. Zeng*, Phonon properties, thermal expansion, and thermomechanics of silicene and germanene, Physical Review B 91, 205433 (2015).
[28] M.J. Lai, C.C. Tasan*, J. Zhang, B. Grabowski, L.-F. Huang, and D. Raabe, Origin of shear induced beta to omega transition in Ti-Nb based alloys, Acta Materialia 92, 55 (2015).
[27] P.L. Gong, L.-F. Huang, X.H. Zheng, Y.S. Zhang, and Z. Zeng*, Nonlocal and local electrochemical effects of doping impurities on the reactivity of graphene, Journal of Physical Chemistry C 119, 10513 (2015).
[2014]
[26] L.-F. Huang, P.L. Gong, Z. Zeng*, Correlation between structure, phonon spectra, thermal expansion, and thermomechanics of single-layer MoS2, Physical Review B 90, 045409 (2014).
[25] L.-F. Huang, T.F. Cao, P.L. Gong, Z. Zeng*, Isotope effects on the vibrational, Invar, and Elinvar properties of pristine and hydrogenated graphene, Solid State Communications 190, 5 (2014).
[24] P.L. Gong, L.-F. Huang, X.H. Zheng, T.F. Cao, L.L. Song, Z. Zeng*, The mechanisms of impurity-impurity and impurity-matrix interactions in B/N- doped graphene, Chemical Physics Letters 605, 56 (2014).
[23] T.F. Cao, X.H. Zheng, L.-F. Huang, P.L. Gong, Z. Zeng*, Hydrogen-coverage-dependent stark effect in bilayer graphene and graphene/BN nanofilms, Journal of Physical Chemistry C 118, 10472 (2014).
[2013]
[22] L.-F. Huang and Z. Zeng*, Lattice dynamics and disorder-induced contraction in functionalized graphene, Journal of Applied Physics 113, 083524 (2013).
[21] L.-F. Huang, G.R. Zhang, X.H. Zheng, P.L. Gong, T.F. Cao, and Z. Zeng*, Understanding and tuning the quantum-confinement effect and edge magnetism in zigzag graphene nanoribbon, Journal of Physics: Condensed Matter 25, 055304 (2013).
[20] T.F. Cao, L.-F. Huang, X.H. Zheng, W.H. Zhou, and Z. Zeng*, Adsorption configurations and scanning voltage determined STM images of small hydrogen clusters on bilayer graphene, Journal of Chemical Physics 139, 19470 (2013).
[19] W.H. Zhou, Y.G. Li, L.-F. Huang, Z. Zeng*, and X. Ju, Dynamical behaviors of self-interstitial atoms in tungsten, Journal of Nuclear Materials 437, 438 (2013).
[18] T.F. Cao, L.-F. Huang, X.H. Zheng, P.L. Gong, and Z. Zeng*, Understanding the stability and dynamical process of hydrogen trimers on graphene, Journal of Applied Physics 113, 173707 (2013).
[2012]
[17] L.-F. Huang, T.F. Cao, P.L. Gong, and Z. Zeng*, Tuning the adatom-surface and interadatom interactions in hydrogenated graphene by charge doping, Physical Review B 86, 125433 (2012).
[16] L.-F. Huang and Z. Zeng*, Patterning graphene nanostripes in substrate-supported functionalized graphene: A promising route to integrated, robust, and superior transistors, Frontiers of Physics 7, 324-327 (2012). (Back Cover) [LFHuang_FP_2012.pdf] (Back-Cover.jpg)
[15] X.H. Zheng, X.L. Wang, L.-F. Huang, H. Hao, J. Lan, and Z. Zeng*, Stabilizing the ground state in zigzag-edged graphene nanoribbons by dihydrogenation, Physical Review B 86, R081408 (2012).
[14] X.H. Zheng, J. Lan, X.L. Wang, L.-F. Huang, H. Hao, and Z. Zeng*, Orbital symmetry induced conductance switching in a graphene nanoribbon heterojunction with different edge hydrogenations, Applied Physics Letters 101, 053101 (2012).
[13] R.X. Wang, L.-F. Huang, and X.Y. Tian*, Understanding the protonation of polyaniline and polyaniline-graphene interaction, Journal of Physical Chemistry C 116, 13120 (2012).
[12] X.H. Zheng, L.-F. Huang, X.L. Wang, J. Lan, and Z. Zeng*, Bandgap engineering in armchair-edged graphene nanoribbons by edge dihydrogenation, Computational Materials Science 62, 93 (2012).
[11] Y.G. Li, W.H. Zhou, L.-F. Huang, Z. Zeng*, X. Ju, Cluster dynamics modeling of accumulation and diffusion of helium in neutron irradiated tungsten, Journal of Nuclear Materials 431, 26 (2012).
[10] Y.G. Li, W.H. Zhou, R.H. Ning, L.-F. Huang, Z. Zeng*, and X. Ju, The accumulation of He on W surface during keV He irradiation: A cluster dynamics modeling, Plasma Science and Technology 14, 624 (2012).
[09] Y.G. Li, W.H. Zhou, R.H. Ning, L.-F. Huang, Z. Zeng*, and X. Ju, A Cluster dynamics model for accumulation of helium in tungsten under helium ions and neutron irradiation, Communications in Computational Physics 11, 1547 (2012).
[2011]
[08] L.-F. Huang, X.H. Zheng, G.R. Zhang, L.L. Li, and Z. Zeng*, Understanding the band gap, magnetism, and kinetics of graphene nanostripes in graphane, Journal of Physical Chemistry C 115, 21088 (2011).
[07] L.-F. Huang, M.Y. Ni, G.R. Zhang, W.H. Zhou, Y.G. Li, X.H. Zheng, and Z. Zeng*, Modulation of the thermodynamic, kinetic, and magnetic properties of the hydrogen monomer on graphene by charge doping, Journal of Chemical Physics 135, 064705 (2011).
[06] L.-F. Huang, M.Y. Ni, and Z. Zeng*, The diffusion of hydrogen monomers on hole-doped graphitic lattices: over-barrier transition and quantum tunneling, Journal of Physics: Condensed Matter 23, 435007 (2011).
[05] L.-F. Huang, M.Y. Ni, Y.G. Li, W.H. Zhou, X.H. Zheng, L.J. Guo, and Z. Zeng*, The thermodynamic and kinetic properties of hydrogen dimers on graphene, Surface Science 605, 1489 (2011).
[04] Y.G. Li, W.H. Zhou, L.-F. Huang, Z. Zeng*, X. Ju, Theoretical simulation of thermal behavior in transient heat loads testing of plasma-facing materials, Fusion Engineering and Design 86, 2812 (2011).
[2010]
[03] L.-F. Huang, M.Y. Ni, X.H. Zheng, W.H. Zhou, Y.G. Li, and Z. Zeng*, Ab initio simulation of the kinetic properties of the hydrogen monomer on graphene, Journal of Physical Chemistry C 114, 22636 (2010).
[02] M.Y. Ni, L.-F. Huang, L.J. Guo, Z. Zeng*, Hydrogen storage in Li-doped charged single-walled carbon nanotubes, International Journal of Hydrogen Energy 35, 3546 (2010).
[2009]
[01] L.-F. Huang, Y.L. Li, M.Y. Ni, X.L. Wang, G.R. Zhang, Z. Zeng*, Lattice dynamics of hydrogen-substituted graphene systems, Acta Physica Sinica 58, S306 (2009). [LFHuang_APS_2009.pdf]