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个人学术概况： 教授，硕士生导师，中国科学院材料物理与化学博士，长期从事光电功能材料及能源转换材料的体相和表界面电子结构、光学性质及反应机理的研究。具体包含：1）新型光电催化制氢、产氧及固氮材料的理性设计、性能调控及催化机理研究；2）二阶非线性光学材料的高通量计算筛选及成分-结构-性能关系研究。以（共同）第一或通讯作者在Angew Chem Int. Ed (2篇)、Chem Mater (2篇)、Inorg Chem (7篇)、J Mater Chem C (5篇)、J Mater Chem A (2篇)、Appl Surf Sci (5篇)、Int J Hydrogen Energ (5篇)、Applied Catalysis B、ACS Appl Mater Interfaces、Nanoscale、Carbon、ACS Appl Energy Mater等国际期刊发表SCI论文50余篇，其中37篇影响因子大于5.0。论文总被引1800余次。共主持国家自然科学基金三项（2015年青年项目，2017年及2022年面上项目），省级人才项目、赌博软件排行榜拔尖人才启动基金等项目共9项。
论文列表（更新至2022年12月）： 2022年 (1) R. Sa, B. Luo, Z. Ma*, D. Liu*, The effect of the A-site cation on the stability and physical properties of vacancy-ordered double perovskites A2PtI6 (A = Tl, K, Rb, and Cs), J Solid State Chem 305 (2022) 122714. (2) S. Gao, Z. Ma*, C. Xiao, Z. Cui, W. Du, X. Sun, Q. Li, R. Sa, C. Sun*, TM3 (TM = V, Fe, Mo, W) single-cluster catalyst confined on porous BN for electrocatalytic nitrogen reduction, J Mater Sci Technol 108 (2022) 46-53. (3) Q.-R. Shui, R.-B. Fu*, Z.-Q. Zhou, Z.-J. Ma*, H.-X. Tang, X.-T. Wu, A Lead Mixed Halide with Three Different Coordinated Anions and Strong Second-Harmonic Generation Response, Chemistry – A European Journal 28 (2022) e202103687. (4) S. Gao, Z. Ma*, C. Xiao, W. Du, X. Sun, Q. Li, R. Sa, C. Sun*, High-Throughput computational screening of Single-atom embedded in defective BN nanotube for electrocatalytic nitrogen fixation, Appl Surf Sci, 591 (2022) 153130. (5) W.-X. Bao, Z.-Q. Zhou, H.-X. Tang, R.-B. Fu*, Z.-J. Ma*, X.-T. Wu, KPb3(o-C5H4NCOO)2Cl5: a brand-new stable lead chloride with good comprehensive nonlinear optical performance, Inorganic Chemistry Frontiers, 9 (2022) 1830-1835. (6) S. Gao, X. Liu, Z. Wang, Y. Lu, R. Sa, Q. Li, C. Sun*, X. Chen*, Z. Ma*, Spin regulation for efficient electrocatalytic N2 reduction over diatomic Fe-Mo catalyst, J Colloid Interface Sci, 630 (2023) 215-223. (7) C. Xiao, S. Gao, Z. Cui, X. Liu, Z. Wang, Y. Lu, R. Sa, Q. Li, Z. Ma*, Efficient band structure tuning of single-layer group IV-N semiconductors for visible-light-driven water splitting, Int J Hydrogen Energ, 47 (2022) 28869-28878. (8) R. Sa, B. Luo, Z. Ma*, L. Liang, D. Liu*, Revealing the influence of B-site doping on the physical properties of CsPbI3: A DFT investigation, J Solid State Chem, 309 (2022) 122956. (9) C. Xiao, Z. Ma*, R. Sa, Z. Cui, S. Gao, W. Du, X. Sun, Q.-h. Li, Adsorption Behavior of Environmental Gas Molecules on Pristine and Defective MoSi2N4: Possible Application as Highly Sensitive and Reusable Gas Sensors, ACS Omega, 7 (2022) 8706-8716. (10)Y.-F. Shi#, Z. Ma#, B.-X. Li, X.-T. Wu, H. Lin*, Q.-L. Zhu*, Phase matching achieved by isomorphous substitution in IR nonlinear optical material Ba2SnSSi2O7 with an undiscovered [SnO4S] functional motif, Materials Chemistry Frontiers, 6 (2022) 3054-3061. (11)Z.-Q. Zhou, R.-B. Fu*, H.-X. Tang, Z.-J. Ma*, X.-T. Wu, An excellent lead oxyiodide with a strong second-harmonic generation response and a large birefringence induced by the oriented arrangement of highly distorted [PbO4I2] polyhedra, Inorganic Chemistry Frontiers, 9 (2022) 4464-4469. 2021年 (12)C. Xiao#, R. Sa#, Z. Ma*, Z. Cui, W. Du, X. Sun, Q. Li, H. Deng, High-throughput screening of transition metal single-atom catalyst anchored on Janus MoSSe basal plane for hydrogen evolution reaction, Int J Hydrogen Energ, 46 (2021) 10337-10345. (13)Z. Cui#, R. Sa#, W. Du, C. Xiao, Q. Li, Z. Ma*, Theoretical screening of group IIIA-VIIA elements doping to promote hydrogen evolution of MoS2 basal plane, Appl Surf Sci, 542 (2021) 148535. (14)C. Xiao#, R. Sa#, Z. Cui, S. Gao, W. Du, X. Sun, X. Zhang, Q. Li, Z. Ma*, Enhancing the hydrogen evolution reaction by non-precious transition metal (Non-metal) atom doping in defective MoSi2N4 monolayer, Appl Surf Sci 563 (2021) 150388. (15)B.J. Song, Z. Ma*, B. Li, X.T. Wu, H. Lin*, Q.L. Zhu*, Structural Modulation from Cu3PS4 to Cu5Zn0.5P2S8: Single-Site Aliovalent-Substitution-Driven Second-Harmonic-Generation Enhancement, Inorg Chem 60 (2021) 4357-4361. (16)Q.R. Shui, H.X. Tang, R.B. Fu*, Y.B. Fang, Z.J. Ma*, X.T. Wu, Cs3Pb2(CH3COO)(2)X-5 (X=I, Br): Halides with Strong Second-Harmonic Generation Response Induced by Acetate Groups, Angew Chem Int Ed 60 (2021) 2116-2119. (17)Q. Shui, R. Fu*, H. Tang, Y. Fang, Z. Ma*, X. Wu, Two Lead Halides with Strong SHG Response Obtained by the Isovalent Substitutions of Alkali Metal Cation and Halogen Anion, Inorg Chem 60 (2021) 5290-5296. (18)Z.J. Ma*, C.W. Xiao, Z.T. Cui, W. Du, Q.H. Li, R.J. Sa*, C.H. Sun*, Defective Fe3GeTe2 monolayer as a promising electrocatalyst for spontaneous nitrogen reduction reaction, J Mater Chem A 9 (2021) 6945-6954. (19)Y.B. Fang, R.B. Fu*, H.X. Tang, Q.R. Shui, Z.J. Ma*, X.T. Wu, Titanium Iodates with a Second-Harmonic-Generation Response, Inorg Chem 60 (2021) 5821-5828. (20)Wang, S.; Yang, P.*; Sun, X.; Xing, H.; Hu, J.; Chen, P.*; Cui, Z.; Zhu, W.; Ma, Z*., Synthesis of 3D heterostructure Co-doped Fe2P electrocatalyst for overall seawater electrolysis. Applied Catalysis B: Environmental 297 (2021) 120386. (21)Zhou, Z.-Q.; Shui, Q.-R.; Fu, R.-B.*; Fang, Y.-B.; Ma, Z.-J.*; Wu, X.-T., KCs2[Pb2Br5(HCOO)2]: A Polar 3D Lead-Bromide Framework Exhibiting Strong Second-Harmonic Generation Response. Chemistry – A European Journal 27 (2021) 12976-12980. (22)Zha, W.; Liu, D.; Ma, Z.; Wang, Y.; Wei, Y.; Ma, X.; Wang, L.; Zhang, Q.; Lou, B.; Yuan, R.*; Fu, X.; Sa, R.*, Efficient electrochemical CO2 reduction on C2N monolayer supported transition metals trimer catalysts: A DFT study. Appl Surf Sci 2021, 564, 150331. (23)H.-X. Tang, R.-B. Fu*, Z.-J. Ma*, X.-T. Wu, A Potassium Tungsten Oxyfluoride with Strong Second-Harmonic Generation Response Derived from Anion-Ordered Functional Motif, Inorg Chem 60 (2021) 17364-17370. (24)Y. Xiao, S.-H. Zhou, R. Yu, Y. Shen, Z. Ma, H. Lin*, Y. Liu*, Rb2CuSb7S12: Quaternary Antimony-Rich Semiconductor Featuring a Three-Dimensional Open Framework and Exhibiting an Intriguing Photocurrent Response, Inorg Chem 60 (2021) 9263-9267. (25)H.-X. Tang, Q.-R. Shui, R.-B. Fu*, Z.-Q. Zhou, W.-X. Bao, Z.-J. Ma*, X.-T. Wu, Zn(NH3)CO3: a “three-in-one” UV nonlinear optical crystal built by a polar molecule bonding strategy, J Mater Chem C 9 (2021) 16477-16484. (26)M.-Y. Ran#, Z. Ma#, X.-T. Wu, H. Lin*, Q.-L. Zhu*, Ba2Ge2Te5: a ternary NLO-active telluride with unusual one-dimensional helical chains and giant second harmonic-generation tensors, Inorganic Chemistry Frontiers 8 (2021) 4838-4845. (27)M.-M. Chen#, Z. Ma#, B.-X. Li, W.-B. Wei, X.-T. Wu, H. Lin*, Q.-L. Zhu*, M2As2Q5 (M = Ba, Pb; Q = S, Se): a source of infrared nonlinear optical materials with excellent overall performance activated by multiple discrete arsenate anions, J Mater Chem C 9 (2021) 1156-1163. 2020 (28) X. Chen,* H. Wang, R. Meng, B. Xia, Z. Ma,* Cadmium Hydroxide: A Missing Non-Noble Metal Hydroxide Electrocatalyst for the Oxygen Evolution Reaction, ACS Applied Energy Materials, 3 (2020) 1305-1310. (29) Qi-Rui Shui, Hong-Xin Tang, Rui-Biao Fu*, Yuan-Bin Fang, Zu-Ju Ma*, and Xin-Tao Wu, Cs3Pb2(CH3COO)2X5 (X = I, Br): New Halides with Strong Second-Harmonic Generation Response Induced by Acetate Groups, Angew. Chem. Int. Ed.. 133 (2021) 2144-2147. (30) M.-Y. Li, # Z. Ma, # B. Li, X.-T. Wu, H. Lin,* Q.-L. Zhu,* HgCuPS4: An Exceptional Infrared Nonlinear Optical Material with Defect Diamond-like Structure, Chem Mater, 32 (2020) 4331-4339. (31) M. Y. Ran,# Z. Ma,# H. Chen, B. Li, X. T. Wu, H. Lin,* Q. L. Zhu,* Partial isovalent anion substitution to access remarkable second-harmonic generation response: a generic and effective strategy for design of IR NLO materials, Chem Mater 32 (2020) 5890-5896. (32)H.-X. Tang, C. Zhuo, Y.-X. Zhang, Q.-R. Shui, R.-B. Fu,* Z.-J. Ma,* X.-T. Wu, AxCe9(IO3)36 (A = K, La): the effects of a change in the intermediate valence on the second-harmonic generation response, Dalton Trans, 49 (2020) 3672-3675. (33) C. He, G. Liu, H. Zhao, K. Zhao, Z. Ma,* X. An,* Inorganic photovoltaic cells based on BiFeO3: spontaneous polarization, lattice matching, light polarization and their relationship with photovoltaic performance, Phys Chem Chem Phys, 22 (2020) 8658-8666. (34) Z. Ma,* Z. Cui, C. Xiao, W. Dai, Y. Lv, Q. Li, R. Sa,* Theoretical screening of efficient single-atom catalysts for nitrogen fixation based on a defective BN monolayer, Nanoscale, 12 (2020) 1541-1550. (35) Cui, Z.; Xiao, C.; Lv, Y.; Li, Q.; Sa, R.; Ma, Z.*, Adsorption behavior of CO, CO2, H2, H2O, NO, and O2 on pristine and defective 2D monolayer Ferromagnetic Fe3GeTe2. Appl Surf Sci (2020) 146894. (36) Ma, Z.; Cui, Z.; Lv, Y.; Sa, R.*; Wu, K*.; Li, Q., Three-in-One: Opened Charge-transfer channel, positively shifted oxidation potential, and enhanced visible light response of g-C3N4 photocatalyst through K and S Co-doping. Int J Hydrogen Energ 2020, 45 (7), 4534-4544. (37) Yang, Y.; Zhou, X.; Pan, F.; Ma, Z.; Sa, R.; Zheng, J.*; Wang, Q.*, Effect of rare-earth doping on adsorption of carbon atom on ferrum surface and in ferrum subsurface: A first-principles study. J Rare Earth 2020. (38) Cui, Z.; Du, W.; Xiao, C.; Li, Q.; Sa, R.*; Sun, C.*; Ma, Z.*, Enhancing hydrogen evolution of MoS2 basal planes by combining single-boron catalyst and compressive strain. Frontiers of Physics 2020, 15 (6), 63502. (39) Sa, R. J.*; Zha, W. Y.; Ma, Z. J.; Yuan, R. S.; Liu, D. W.*, Stable lead-free perovskite solar cells: A first -principles investigation. Spectrochim Acta A 2020, 239. (40) Sa, R. J.*; Ma, Z. J.; Wang, J.; Liu, D. W.*, The effect of organic cation doping on the stability and optoelectronic properties of alpha-CsPbI3. J Solid State Chem 2020, 290. (41) Liu, D. W.; Sa, R. J.*; Ma, Z. J.*, The effect of divalent europium doping on stability and electronic properties of CH3NH3PbI3: a theoretical investigation. Applied Physics Express 2020, 13 (10). 2019 (42) Y.-X. Zhang, B.-X. Li, H. Lin,* Z. Ma,* X.-T. Wu, Q.-L. Zhu,* Impressive second harmonic generation response in a novel phase-matchable NLO-active MOF derived from achiral precursors, J Mater Chem C, 7 (2019) 6217-6221. (43) M.-Y. Li, y.x. zhang, H. Lin,* Z. Ma,* X. Wu, Q.-L. Zhu,* Combined experimental and theoretical investigations of Ba3GaS4I: interesting structure transformation originated from the halogen substitution, Dalton Trans, 48 (2019) 17588. (44) Y.-F. Shi, X.-F. Li, Y.-X. Zhang, H. Lin,* Z. Ma,* L.-M. Wu,* X.-T. Wu, Q.-L. Zhu,* [(Ba19Cl4)(Ga6Si12O42S8)]: a Two-Dimensional Wide-Band-Gap Layered Oxysulfide with Mixed-Anion Chemical Bonding and Photocurrent Response, Inorg Chem, 58 (2019) 6588-6592. (45) H.-X. Tang, Y.-X. Zhang, C. Zhuo, R.-B. Fu,* H. Lin, Z.-J. Ma,* X.-T. Wu, A Niobium Oxyiodate Sulfate with a Strong Second-Harmonic-Generation Response Built by Rational Multi-Component Design, Angew. Chem. Int. Ed. 58 (2019) 3824-3828. (46) H. Lin, Y.-Y. Li, M.-Y. Li, Z. Ma,* L.-M. Wu,* X.-T. Wu, Q.-L. Zhu,* Centric-to-acentric structure transformation induced by a stereochemically active lone pair: a new insight for design of IR nonlinear optical materials, J Mater Chem C 7 (2019) 4638-4643. (47) Wan, Q.; Wei, F.; Ma, Z.*; Anpo, M.; Lin, S.*, Novel Porous Boron Nitride Nanosheet with Carbon Doping: Potential Metal-Free Photocatalyst for Visible-Light-Driven Overall Water Splitting. Advanced Theory and Simulations 0 (2019) 1800174. (48) Wang, X#.; Ma, Z#.; Chai, L.; Xu, L.; Zhu, Z.; Hu, Y.; Qian, J.; Huang, S., MOF derived N-doped carbon coated CoP particle/carbon nanotube composite for efficient oxygen evolution reaction. Carbon 2019, 141, 643-651. 2018 (49) Ma, Z.; Wu,K*. Synergistic effect of doping and compositing on photocatalytic efficiency: a case study of La2Ti2O7, ACS Applied Materials & Interfaces, 2018. 10 (45), 39327-39335. (50) Li, M.-Y.; Li, B.-X.; Lin, H.*; Shi, Y.-F.; Ma, Z*.; Wu, L.-M.*; Wu, X.-T.; Zhu, Q.-L.*, Ternary Mixed-Metal Cd4GeS6: Remarkable Nonlinear-Optical Properties Based on a Tetrahedral-Stacking Framework. Inorg Chem 2018, 57 (15), 8730-8734. 2017 (51) Ma Z, Hu J, Sa R, Li Q, Zhang Y, Wu K*, Screening novel candidates for mid-IR nonlinear optical materials from I3–V–VI4 compounds, J Mater Chem C, 2017，5: 1963-1972. (52) Z Ma, S Lin, R Sa, Q Li, K Wu*, A comprehensive understanding of water photooxidation on Ag3PO 4 surfaces, RSC Advances, 2017, 7 (39), 23994-24003 (53) Y Peng#, Z Ma#, J Hu, K Wu*, A first-principles study of anionic (S) and cationic (V/Nb) doped Sr2Ta2O7 for visible light photocatalysis, RSC Advances, 2017, 7 (65), 40922-40928 (54) Q Li, Z Ma, R Sa, H Adidharma, K Gasem, AT Russell, M Fan, W Kechen*, Computation-Predicted, Stable, and Inexpensive Single-atom Nanocatalyst Pt@ Mo2C–an Important Advanced Material for H2 Production, Journal of Materials Chemistry A, 5 (2017) 14658-14672. (55) J Li, J Shen, Z Ma, K Wu*, Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets, Scientific Reports, 2017, 7 (1), 8914 (56) Hu J, Ma Z, Sa R, Zhang Y, Wu K*, A promising lead-free fluoride carbonate SHG material designed from a theoretical perspective, Dalton Trans, 2017, 46: 2635-2642. (57) Li J, Ma Z, Wu K*, Thermoelectric enhancement in sliver tantalate via strain-induced band modification and chemical bond softening, RSC Advances, 2017, 7: 8460-8466. 2016 & before 2016 (58) Ma ZJ, Wu KC*, Sun BZ, He C, Band engineering of AgSb1-xBixO3 for photocatalytic water oxidation under visible light, J Mater Chem A, 2015, 3: 8466-8474. (59) Ma Z, Sa R, Li Q, Wu K*, Interfacial electronic structure and charge transfer of hybrid graphene quantum dot and graphitic carbon nitride nanocomposites: insights into high efficiency for photocatalytic solar water splitting, Phys Chem Chem Phys, 2016, 18: 1050-1058. (60) Ma Z, Wu K*, Sa R, Li Q, He C, Yi Z, Mechanism of enhanced photocatalytic activities on N-doped La2Ti2O7: An insight from density-functional calculations, Int J Hydrogen Energ, 2015, 40: 980-989. (61) Ma, Z.; Yi, Z.; Sun, J.; Wu, K., Electronic and Photocatalytic Properties of Ag3PC4VI (C = O, S, Se): A Systemic Hybrid DFT Study. J Phys Chem C 2012, 116 (47), 25074-25080. (62) Ma, Z.; Wu, K.; Sa, R.; Li, Q.; Zhang, Y., Ab initio study of elasticity, piezoelectricity, and nonlinear optical performance in monoclinic NaAsSe2. J Alloy Compd 2013, 568, 16-20. (63) Zhang H, Ma Z, Duan J, Liu H, Liu G, Wang T, Chang K, Li M, Shi L, Meng X, Wu K, Ye J*, Active Sites Implanted Carbon Cages in Core–Shell Architecture: Highly Active and Durable Electrocatalyst for Hydrogen Evolution Reaction, ACS Nano, 2016, 10: 684-694. (64) Zhang H, Ma Z, Liu G, Shi L, Tang J, Pang H, , Wu K, Takei T, Zhang J, Yamauchi Y, Ye J*, Highly active nonprecious metal hydrogen evolution electrocatalyst: ultrafine molybdenum carbide nanoparticles embedded into a 3D nitrogen-implanted carbon matrix, NPG Asia Mater, 2016, 8: e293. (65) Long X, Ma Z, Yu H, Gao X, Pan X, Chen X, Yang S, Yi Z*, Porous FeNi oxide nanosheets as advanced electrochemical catalysts for sustained water oxidation, J Mater Chem A, 2016. (66) Li J, Ma Z, He C, Li Q, Wu K*, An effective strategy to achieve deeper coherent light for LiB3O5, J Mater Chem C, 2016, 4: 1926-1934. (67) Pan M-y, Ma Z-j, Liu X-c, Xia S-q*, Tao X-t, Wu K-c*, Ba(4)AgGa(5)Pn(8) (Pn = P, As): new pnictide-based compounds with nonlinear optical potential, J Mater Chem C, 2015, 3: 9695-9700. (68) Li Q, Qiao L, Chen R, Ma Z, Si R, Yao Y*, Wu K*, Carbon monoxide oxidation catalysed by defective palladium chloride: DFT calculations, EXAFS, and in situ DRIRS measurements, Phys Chem Chem Phys, 2016, 18: 2784-2791. (69) Hu J, Ma Z, Li J, He C, Li Q, Wu K*, Strain engineering of nonlinear boron phosphate for phase matching in the ultraviolet region: a first-principles study, J Phys D Appl Phys, 2016, 49: 85103-85103. (70) Sun B-Z, Ma Z, He C, Wu K*, Anisotropic thermoelectric properties of layered compounds in SnX2 (X = S, Se): a promising thermoelectric material, Phys Chem Chem Phys, 2015, 17: 29844-29853. (71) Sun B-Z, Ma Z, He C, Wu K*, Enhanced thermoelectric performance of layered SnS crystals: the synergetic effect of temperature and carrier concentration, Rsc Advances, 2015, 5: 56382-56390. (72) Ren J, Ma Z, He C, Sa R, Li Q, Wu K*, Structure, elastic and piezoelectric properties of A(3)BO(7) (A = Ga, Al; B = P, As) compounds: A DFT study, Comp Mater Sci, 2015, 106: 1-4. (73) Li Q, Wei Y, Sa R, Ma Z, Wu K*, A novel Pd3O9@alpha-Al2O3 catalyst under a hydroxylated effect: high activity in the CO oxidation reaction, Phys Chem Chem Phys, 2015, 17: 32140-32148. (74) He C, Ma Z-J, Sun B-Z, Sa R-J, Wu K*, The electronic, optical and ferroelectric properties of BiFeO3 during polarization reversal: A first principle study, J Alloy Compd, 2015, 623: 393-400. (75) He C, Ma Z, Sun B-Z, Li Q, Wu K*, Ab-initio study on the electronic, optical and ferroelectric properties of LiOsO3, Comp Mater Sci, 2015, 105: 11-17. |
