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   2022 年

174 He, Z. L., Dou, K. Y., Du. W. H., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2022): Multiple Topological Magnetism in van der Waals Heterostructure of MnTe₂/ZrS₂. Nano Lett. ACCETED.

173 Dou, K. Y., Du. W. H., He, Z. L., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2022): Theoretical prediction of antiferromagnetic skyrmion crystal in Janus monolayer CrSi₂N₂As₂. ACS Nano ACCETED.

172 Xu, X. L., Zhang, T., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2022): Electric-Field Switching of Antiferromagnetic Topological State in Multiferroic Heterobilayer. Phys. Rev. B ACCETED.

171 Zhang, T., Xu, X. L., Huang, B. B., Dai, Y.*, Kou, L. Z., Ma, Y. D.* (2022): Layer-Polarized Anomalous Hall Effect in Valleytronic van der Waals Bilayers. Materials Horiz. ACCEPTED.

170 Zhao, J. Y., Zhang, T., Peng, R., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2022): Spontaneous Valley Polarization and Electrical Control of Valley Physics in Single-Layer TcIrGe₂S₆. J. Phys. Chem. Lett. 13, 37, 8749-8754.

169 Wu, Q., Huang, B. B., Dai, Y.*, Heine, T.*, Ma, Y. D.*, (2022): Main-Group Metal Elements as Promising Active Centers for Single-Atom Catalyst toward NORR. npj 2D Mater. Appl. 6, 692.

168 Peng, R., He, Z. L., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2022): Intrinsic Valley-Related Multiple Hall Effect in Two-Dimensional Organometallic Lattice. Phys. Rev. B 106, 035403.

167 Dou, K. Y., Du, W. H., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2022): Two-dimensional magnetoelectric multiferroics in a MnSTe/In₂Se₃ heterobilayer with ferroelectrically controllable skyrmions. Phys. Rev. B 105, 205427.

166 Feng, Y. Y., Zhang, T., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2022): p-Orbital Multiferroics in Single-Layer SiN. Appl. Phys. Lett. 120, 193102.

165 Zhang, T., Xu, X. L., Dai, Y.*, Huang, B. B., Kou, L. Z., Ma, Y. D.* (2022): Intrinsic Ferromagnetic Triferroicity in Bilayer T'-VTe₂. Appl. Phys. Lett. 120, 192903.

164 Du, W. H., Dou, K. Y., He, Z. L., Dai, Y.*, Huang, B. B., Ma, Y. D.*, (2022): Spontaneous magnetic skyrmions in single-layer CrInX₃ (X = Te, Se). Nano Lett. 8, 3440–3446.

163 Zhang, T., Xu, X. L., Huang, B. B., Dai, Y.*, Ma, Y. D.* (2022): 2D spontaneous valley polarization from inversion symmetric single-layer lattices. npj Comput. Mater. 8, 1481.

162 Du, W. H., Peng, R., He, Z. L., Dai, Y.*, Huang, B. B., Ma, Y. D.*, (2022): Anomalous valley Hall effect in antiferromagnetic monolayers. npj 2D Mater. Appl. 6, 11.

161 Feng, X. Y., He, Z. L., Peng, R., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2022): Valley-dependent properties in two-dimensional Cr₂COF MXene predicted from first-principles. Phys. Rev. Materials 6, 044001.

160 Wu, Y., Wu, Q., Zhang, Q., Lou, Z., Liu, K., Ma, Y. D., Wang, Z., Zheng, Z., Cheng, H., Liu, Y., Dai, Y.*, Huang, B. B., Wang, P.* (2022): An organometal halide perovskite supported Pt single-atom photocatalyst for H₂ evolution. Energy Environ. Sci. 15, 1271.

159 Shang, J., Shen, S. Y., Wang, L., Ma, Y. D., Liao, T., Gu, Y. T., Kou, L. Z.* (2022): Stacking Dependent Interlayer Ferroelectric Coupling and Moiré Domains in Twisted AgBiP₂Se₆ Bilayer. J. Phys. Chem. Lett. 13, 2027.

158 Zang, Y. M., Wu, Q., Wang, S. H., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2022): High-Throughput Screening of Efficient Biatom Catalysts Based on Monolayer Carbon Nitride for NORR. J. Phys. Chem. Lett. 13, 527.

2021 年

157 He, Z. L., Peng, R., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2021): Single-Layer ScI₂: A Paradigm for Valley-Related Multiple Hall Effect. Appl. Phys. Lett. 119, 243102.

156 Xu, X. L., He, Z. L., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2021): Single-valley state in a two-dimensional antiferromagnetic lattice. Phys. Rev. B 104, 205430.

155 Peng, R., He, Z. L., Wu, Q., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2021): Spontaneous valley polarization in two-dimensional organometallic lattices. Phys. Rev. B 104, 174411.

154 Shang, J., Xia, C., Tang, C., Li, C., Ma, Y. D., Gu, Y. T., Kou, L. Z.* (2021): Mechano-ferroelectric coupling: stabilization enhancement and polarization switching in bent AgBiP₂Se₆ monolayers. Nanoscale Horiz. 6, 971.

153 Feng, Y. Y., Peng, R., Dai, Y.*, Huang, B. B., Duan, L. L., Ma, Y. D.* (2021): Antiferromagnetic ferroelastic multiferroics in single-layer VOX (X = Cl, Br) predicted from first-principles. Appl. Phys. Lett. 119, 173103.

152. Liang, Y., Mao, N., Dai, Y.*, Kou, L. Z., Huang, B. B., Ma, Y. D.* (2021): Intertwined ferroelectricity and topological state in two-dimensional multilayer. npj Comput. Mater. 7, 172.

151. Li, B. S, Du, W. H., Wu, Q., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2021): Coronene-based 2D metal-organic frameworks: A new family of promising single-atom catalysts for nitrogen reduction reaction. J. Phys. Chem. C 125, 38, 20870–20876.

150 Liu, Y. B., Zhang, T., Dou, K. Y., Du, W. H., Peng, R., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2021): Valley-contrasting physics in single-layer CrSi₂N₄ and CrSi₂P₄. J. Phys. Chem. Lett. 12, 34, 8341–8346.

149 Shen, S. Y., Wu, Q., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2021): Nonvolatile ferromagnetism in bilayer CrI₃ induced by a heterointerface. Phys. Rev. B 104, 064446.

148 Xu, X. L., He, Z. L., Dai, Y.*, Huang, B. B., Kou, L. Z., Ma, Y. D.* (2021): Stable valley-layer coupling and design principle in 2D lattice. Appl. Phys. Lett. 119, 073101.

147 Feng, X. Y., Xu, X. L., He, Z. L., Peng, R., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2021): Valley-related multiple Hall effect in single-layer VSi₂P₄. Phys. Rev. B 104, 075421.

146 He, Z. L., Peng, R., Feng, X. Y., Xu, X. L., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2021): Two-dimensional valleytronic semiconductor with spontaneous spin and valley polarization in single-layer Cr₂Se₃. Phys. Rev. B 104, 075105.

145 Wu, Q., Shen, S. Y., Peng, R., Huang, B. B., Dai, Y.*, Ma, Y. D.*(2021): Single-atom catalysts of TM-porphyrin for alkali oxygen battery: Reaction mechanism and universal design principle. J. Mater. Chem. A 9, 16998-17005.

144. Gao, W. Q., Peng, R., Yang, Y. Y., Zhao, X., Cui, C., Su, X., Qin, Dai, Y., Ma, Y. D.*, Liu, H.*, Sang Y. H.* (2021): Electron spin polarization-enhanced photoinduced charge separation in ferromagnetic ZnFe₂O₄. ACS Energy Lett. 6, 6, 2129–2137.

143. Liang, Y., Shen, S. Y., Huang, B. B., Dai, Y.* Ma, Y. D.* (2021): Intercorrelated ferroelectrics in 2D van der Waals materials. Mater. Horiz. 8, 1683-1689.

142 Zhang, T., Liang, Y., Xu, X. L., Huang, B. B., Dai, Y.*, Ma, Y. D.* (2021): Ferroelastic-ferroelectric multiferroics in a bilayer lattice. Phys. Rev. B 103, 165420.

141 Shen, S. Y., Xu, X. L., Huang, B. B., Kou, L. Z., Dai, Y.*, Ma, Y. D.* (2021): Intrinsic triferroicity in a two-dimensional lattice. Phys. Rev. B 103, 144101.

140 Zang, Y. M., Wu, Q., Du, W. H., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2021): Activating electrocatalytic hydrogen evolution performance of two-dimensional MSi₂N₄(M=Mo,W): A theoretical prediction. Phys. Rev. Materials 5, 045801.

139 Shen, S. Y., Wu, Q., Liang, Y., Huang, B. B., Dai, Y.*, Ma, Y. D.* (2021): Single-layer BI: A multifunctional semiconductor with ferroelectricity, ultrahigh carrier mobility, and negative Poisson's ratio. Phys. Rev. Applied 15, 014027.

138 Liang, Y., Guo, R., Shen, S. Y., Huang, B. B., Dai, Y.*, Ma, Y. D.* (2021): Out-of-plane Ferroelectricity and Multiferroicity in Elemental Bilayer Phosphorene, Arsenene and Antimonene. Appl. Phys. Lett. 118, 012905.

137 Wu, Q., Wang, H., Shen, S. Y., Huang, B. B., Dai, Y.*, Ma, Y. D.*(2021): Efficient nitric oxide reduction to ammonia on a metal-free electrocatalyst. J. Mater. Chem. A 9, 5434-5441.

136 Lei, C. A., Xu, X. L., Zhang, T., Huang, B. B., Dai, Y.* Ma, Y. D.* (2021): Nonvolatile Controlling Valleytronics by Ferroelectricity in VSe2/Sc2CO2 van der Waals Heterostructure. J. Phys. Chem. C 125, 2802–2809.

135. Zang, Y. M., Ma, Y. D.*, Peng, R., Wang, H., Huang, B. B., Dai, Y.* (2021): Large valley-polarized state in single-layer NbX₂ (X = S, Se): Theoretical prediction. Nano Resear. 14, 834–839.

2020 年

134. Dou, K. Y., Ma, Y. D.*, Peng, P., Du, W. H., Huang, B. B., Dai, Y.* (2020): Promising valleytronic materials with strong spin-valley coupling in two-dimensional MN2X2 (M = Mo, W; X = F, H). Appl. Phys. Lett. 117, 172405.

133. Wu, Q., Peng, R., Huang, B. B., Kou, L. Z., Dai, Y.*, Ma, Y. D.*(2020): High effective and selective molecular nanowire catalysts for hydrogen and ammonia synthesis. J. Mater. Chem. A 8, 26075-26084.

132. Zhang, T., Ma, Y. D.*, Xu, X. L., Lei, C. A., Huang, B. B., Dai, Y.* (2020): Two-dimensional valleytronics in single-layer t-ZrNY (Y = Cl, Br) predicted from first-principles. J. Phys. Chem. C 124, 20598.

131. Du, W. H., Ma, Y. D.*, Peng, R., Wang, H., Huang, B. B., Dai, Y.* (2020): Prediction of single-layer TiVI6 as a promising two-dimensional valleytronic semiconductor with spontaneous valley polarization. J. Mater. Chem. C 8, 13220.

130. Sun, Q. L.., Ma, Y. D., Kioussis, N. (2020): Two-dimensional Dirac spin-gapless semiconductors with tunable perpendicular magnetic anisotropy and a robust quantum anomalous Hall effect. Materials Horiz. 7, 2071-2077.

129. Tang, Xiao; Shang, Jing; Ma, Yandong; Gu, YuanTong; Chen, Changfeng; Kou, Liangzhi* (2020): Tuning magnetism of metal porphyrazine molecules by ferroelectric In2Se3 monolayer. ACS Appl. Mater. Interfaces 2020, 12, 39561.

128. Wu, Q., Ma, Y. D.*, Wang, H., Zhang, S., Huang, B. B., Dai, Y.* (2020): Trifunctional Electrocatalysts with High Efficiency for ORR, OER and Na-O2 Battery in Heteroatom Doped Janus Monolayer MoSSe. ACS Appl. Mater. Interfaces 2020, 12, 24066.

127. Xu, X. L., Ma, Y. D.*, Zhang, T., Lei, C. A., Huang, B. B., Dai, Y.* (2020): Prediction of two-dimensional antiferromagnetic ferroelasticity in AgF₂ monolayer. Nanoscale Horiz. 2020, 5, 1386. 

126. Peng, R., Ma, Y. D.*, Xu, X.L.; He, Z. L., Huang, B. B., Dai, Y.* (2020): Intrinsic Anomalous Valley Hall Effect in Single-Layer Nb₃I₈. Phys. Rev. B 102, 035412.

125. Yang, H. C., Ma, Y. D.*, Lv, X. S., Huang, B. B., Dai, Y.* (2020): Prediction of Intrinsic Electrocatalytic Activity for Hydrogen Evolution Reaction in Ti₄X₃ (X = C, N). J. Cataly. 3877, 12.

124. Liang, Y., Ma, Y. D.*, Zhao, P., Wang, H., Huang, B. B., Dai, Y.* (2020): High-temperature quantum anomalous Hall insulator in two-dimensional Bi₂ON. Appl. Phys. Lett. 116, 162402.

123. Lei, C., Ma, Y. D.*, Zhang, T., Xu, X., Huang, B. B., Dai, Y.* (2020): Valley Polarization in Monolayer CrX₂ (X= S, Se) with Magnetically Doping and Proximity Coupling. New J. Phys. 22, 033002.

122. Peng, R., Ma, Y. D.*, Wang, H., Huang, B. B., Dai, Y.* (2020): Stacking-dependent topological phase in bilayer MBi₂Te₄ (M = Ge, Sn,Pb). Phys. Rev. B 101, 115427.

121. He, Z. L., Ma, Y. D.*, Lei, C. A., Peng, R., Huang, B. B., Dai, Y.* (2020): Tl₂O/WTe₂ van der Waals Heterostructure with Tunable Multiple Band Alignments. J. Chem. Phys. 152, 074703.

120. Peng, R., Ma, Y. D.*, Zhang, S., Kou, L. Z., Huang, B. B., Dai, Y.* (2020): Self-doped p–n junctions in two-dimensional In₂X₃ van der Waals materials. Mater. Horiz. 7, 504-510.

119. Zhang, T., Ma, Y. D.*, Xu, X. L., Lei, C. A., Huang, B. B., Dai, Y.* (2020): Two-dimensional ferroelastic semiconductors in Nb₂SiTe4 and Nb₂GeTe4 with promising electronic properties. J. Phys. Chem. Lett. 11, 2, 497-503.

2019 年

118. Zhao, P., Ma, Y. D.*, Lei, C. A., Wang, H., Huang, B. B., Dai, Y.* (2019): Single-layer LaBr₂: Two-dimensional valleytronic semiconductor with spontaneous spin and valley polarizations. Appl. Phys. Lett. 115, 261605.

117. Wu, Q., Ma, Y. D.*, Peng, R., Huang, B. B., Dai, Y.* (2019): Single-layer Cu₂WS₄ with promising electrocatalytic activity toward hydrogen evolution reaction. ACS Appl. Mater. Interfaces 11, 45818-45824.

116. Dou, K. Y., Ma, Y. D.*, Zhang, T., Huang, B. B., Dai, Y.* (2019): Prediction of two-dimensional PC₆ as a promising anode material for potassium-ion battery. Phys. Chem. Chem. Phys. 21, 26212-26218.

115. Yang, H. C., Ma, Y. D.*, Liang, Y., Huang, B. B., Dai, Y.* (2019): Monolayer HfTeSe4: A promising two-dimensional photovoltaic material for solar cells with high efficiency. ACS Appl. Mater. Interfaces 11, 37901-37907.

114. Lei, C., Ma, Y. D.*, Xu, X., Zhang, T., Huang, B. B., Dai, Y.* (2019): Broken-gap type-III band alignment in WTe₂/HfS₂ van der Waals heterostructure. J. Phys. Chem. C 123, 23089-23095.

113. Zhang, T., Ma, Y. D.*, Yu, L., Huang, B. B., Dai, Y.* (2019): Direction-control of anisotropic electronic behaviors via ferroelasticity in two-dimensional α-MPI (M = Zr, Hf). Materials Horiz. 6, 1930-1937.

112. Sun, j., Peng, M., Zhang, Y., Zhang, L., Peng, R., Miao, C., Liu, D., Han, M., Feng, R., Ma, Y. D., Dai, Y., He, L., Shan, C., Pan, A. *, Hu, W. *, Yang, Z. * (2019): Ultrahigh hole mobility of Sn-catalyzed GaSb nanowires for high speed infrared photodetectors. Nano Lett. 19, 5920-5929.

111. Yang, H. C., Zhao, P., Ma, Y. D.*, Lv, X., Huang, B. B., Dai, Y.* (2019): Janus single-layer group-III monochalcogenides: A promising visible-light photocatalyst. J. Phys. D: Appl. Phys. 7, 12060-12067.

110. Shen, S. Y., Ma, Y. D.*, Wang, H., Huang, B. B., Dai, Y.* (2019): Single-layer PtI₂: A multifunctional material with promising photocatalysis toward oxygen evolution reaction and negative Poisson’s ratio. ACS Appl. Mater. Interfaces 11, 31793-31798.

109. Xu, X. L., Ma, Y. D.*, Zhang, T., Lei, C. A., Huang, B. B., Dai, Y.* (2019): Nonmetal-atom-doping-induced valley polarization in single-layer Tl₂O. J. Phys. Chem. Lett. 10, 4535-4541.

108. Zhao, P., Ma, Y. D.*, Wang, H., Huang, B. B., Dai, Y.* (2019): Room temperature quantum anomalous Hall effect in single-layer CrP₂S₆. J. Phys. Chem. C 123, 14707-14711.

107. Peng, R., Ma, Y. D.*, Wu, Q., Huang, B. B., Dai, Y.* (2019): Two-dimensional materials with intrinsic auxeticity: Progress and perspectives. Nanoscale 11, 11413-11428 (review).

106. Shen, S. Y., Liu, C., Ma, Y. D.*, Huang, B. B., Dai, Y.* (2019): Robust two-dimensional ferroelectricity in single-layer γ-SbP and γ-SbAs. Nanoscale 11, 11864-11871.

105. Peng, R., Ma, Y. D.*, He, Z. L., Huang, B. B., Kou, L. Z., Dai, Y.* (2019): Single-layer Ag₂S: A two-dimensional bi-directional auxetic semiconductor. Nano Lett. 19,1227.

104. Yang, H. C., Ma, Y. D.*, Zhang, S., Jin, H., Huang, B. B., Dai, Y.* (2019): GeSe@SnS: Stacked janus structures for overall water splitting. J. Mater. Chem. A 7, 12060-12067.

103. Xu, X. L., Ma, Y. D.*, Huang, B. B., Dai, Y.* (2019): Two-dimensional ferroelastic semiconductors in single-layer indium oxygen halide InOY (Y = Cl/Br). Phys. Chem. Chem. Phys. 21, 7440.

102. Zhao, P., Liang, Y., Ma, Y. D.*, Huang, B. B., Dai, Y.* (2019): Janus chromium dichalcogenide monolayers with low carrier recombination for photocatalytic overall water-splitting under infrared light. J. Phys. Chem. C 123, 4186.

101. Zhang, T., Ma, Y. D.*, Huang, B. B., Dai, Y.* (2019): Two-Dimensional Penta-BN2 with High Specific Capacity for Li-Ion Batteries. ACS Appl. Mater. Interfaces 11, 6104.

100. Peng, R., Ma, Y. D.*, Huang, B. B., Dai, Y.* (2019): Two-dimensional Janus PtSSe for photocatalytic water splitting under the visible or infrared light. J. Mater. Chem. A 7, 603.

2018 年

99. Urban, J. M., Baranowski, M., Kuc, A., Surrente, A., Ma, Y. D., Włodarczyk, D., Suchocki, A., Ovchinnikov, D., Heine, T., Maude, D. K., Kis, A., Plochocka, P. (2018): Non equilibrium anisotropic excitons in atomically thin ReS₂. 2D Mater. 6, 015012.

98. Kou, L. Z.*, Ma, Y. D., Liao, T., Du, A. J., Chen, C. F. (2018): Multiferroic and ferroic topological order in ligand-functionalized germanene and arsenene. Phys. Rev. Applied 10, 024043.

97. Ma, Y. D., Kou, L. Z., Huang, B. B., Dai, Y.*, Heine. T.* (2018): Two-dimensional ferroelastic topological insulators in single-layer Janus transition metal dichalcogenides MSSe (M=Mo, W). Phys. Rev. B 98, 085420.

96. Shang, J.; Ma, Y. D.; Gu, Y. T.; Kou, L. Z.* (2018): Two dimensional boron nanosheets: synthesis, properties and applications. Phys. Chem. Chem. Phys. 20, 28964-28978 (review).

95. Tang, X.; Li, S.; Ma, Y. D.; Du, A.; Liao, T.; Gu, Y. T.; Kou, L. Z.* (2018): Distorted Janus transition metal dichalcogenides: Stable two dimensional materials with sizable band gap and ultrahigh carrier mobility. J. Phys. Chem. C 122, 19153.

94. Zhao, P., Ma, Y. D.*, Lv, X. S., Li, M. M., Huang, B. B., Dai, Y.* (2018): Two-dimensional III₂-VI₃ materials: Promising photocatalysts for overall water splitting under infrared light spectrum. Nano Energy 51, 533-538.

93. Kou, L. Z.*, Niu, C. W., Fu, H., Ma, Y. D., Yan, B. H.., Chen, C. F. (2018): Tunable quantum order in bilayer Bi₂Te₃: Stacking dependent quantum spin Hall states. Appl. Phys. Lett. 112, 243103.

92. Peng, R., Ma, Y. D.*, Zhang, S., Huang, B. B., Dai, Y.* (2018): Valley Polarization in Janus single-layer MoSSe via magnetic doping. J. Phys. Chem. Lett. 9 (13), 3612–3617.

91. Zhang, S., Ma, Y. D.*, Peng, R., Huang, B. B., Dai, Y.* (2018): Ideal inert substrates for planar antimonene: h-BN and hydrogenated SiC (0001). Phys. Chem. Chem. Phys. 20 (36), 23397-23402.

90. Zhao, P., Jin, H., Lv, X., Huang, B. B., Ma, Y. D.*, Dai, Y.* (2018): Modified MXene：Promising electrode materials for constructing Ohmic contact with MoS2 for electronic device application. Phys. Chem. Chem. Phys. 20, 16551-16557.

89. Shen, S. Y., Liang, Y., Ma, Y. D., Huang, B. B., Wei W.*, Dai, Y.* (2018): Tl₂S: a metal-shrouded two-dimensional semiconductor. Phys. Chem. Chem. Phys. 20, 14778-14784 .

88. Wei, Y. N., Ma, Y. D.*, Wei, W., Li, M. M., Huang, B. B., Dai, Y.* (2018): Promising photocatalysts for water splitting in BeN₂ and MgN₂ monolayers. J. Phys. Chem. C 122(15), 8102–8108.

87．Yin, N., Dai, Y.*, Wei, W., Ma, Y. D. Huang, B. B., (2018): γ-Graphyne analogues based on As and Sb elements. Comp. Mater. Sci. 150, 325-328.

86. Kou, L. Z.*, Fu, H. X., Ma, Y. D., Yan, B. H., Liao, T., Du, A. J., Chen, C. F. (2018): Two-dimensional ferroelectric topological insulators in functionalized atomic thin bismuth layers. Phys. Rev. B 97, 075429.

85. Ma, Y. D., Kou, L. Z., Du, A. J., Huang, B. B., Dai, Y.*, Heine. T.* (2018): Conduction-band valley spin splitting in single-layer H-Tl₂O. Phys. Rev. B 97, 035444. 

84. Yang, H. C., Li, J. J., Yu, L., Huang, B. B., Ma, Y. D.*, Dai, Y.* (2018): Theoretical study on electronic properties of in-plane CdS/ZnSe heterostructure: Type-II band alignment for water splitting. J. Mater. Chem. A 6, 4161-4166.

83. Liang, Y., Dai, Y.*, Ma, Y. D., Ju, L., Wei, W., Huang, B. B. (2018): Novel titanium nitride halide TiNX (X = F, Cl, Br) monolayers: potential materials for highly efficient excitonic solar cells. J. Mater. Chem. A 6, 2073-2080.

2017 年

82. Ma, Y. D., Kuc, A., Heine. T.* (2017): Single-layer Tl₂O: A metal-shrouded 2D semiconductor with high electronic mobility. J. Am. Chem. Soc. 139 (34), 11694-11697.

81. Jing, Y., Ma, Y. D., Wang, Y., Li, Y. F.*, Heine, T. * (2017): Ultrathin layers of PdPX (X= S, Se): Two dimensional semiconductors for photocatalytic water splitting. Chem. Eur. J. 23, 1-6.

80. Kou, L. Z. *, Du, A. J.; Ma, Y. D., Liao, T., Chen, .C. F. (2017): Charging assisted structural phase transitions in monolayer InSe. Phys. Chem. Chem. Phys. 19, 22502-22508.

79. Ma, Y. D., Kuc, A., Jing, Y., Philipsen, P., Heine. T.* (2017): Haeckelite NbS₂ two-dimensional crystal - a diamagnetic high mobility semiconductor with Nb⁴⁺ ions. Angew. Chem. Int. Ed. 56, 10214-10218.

78. Sun, Q. L., Dai, Y.*, Yin, N., Yu, L., Ma, Y. D., Wei, W., Huang, B. B. (2017): Two-dimensional square transition metal dichalcogenides with lateral heterostructures Nano Resear. DOI https://doi.org/10.1007/s12274-017-1605-4.

77. Zhang, S. L., Zhou, W. H., Ma, Y. D., Ji, J. P., Cai, B., Yang, S. A., Zhu, Z., Chen, Z. F., Zeng, H. B.* (2017): Antimonene oxides: Emerging tunable direct bandgap semiconductor and novel topological insulator. Nano Lett. 17 (6), 3434-3440.

76. Li, X. R., Dai, Y.*, Ma, Y. D., Li, M. M., Yu, L., Huang, B. B. (2017): Landscape of DNA-like inorganic metal-free double helical semiconductors and potential applications in photocatalytic water splitting. J. Mater. Chem. A 5(18), 8484-8492.

75. Ma, Y. D.*, Jing, Y., Heine. T.* (2017): Double Dirac point semimetal in two-dimensional material: Ta₂Se₃. 2D Mater. 4, 025111.

74. Li, X. R., Dai, Y.*, Niu, C. W., Ma, Y. D., Wei, W., Huang, B. B. (2017): MoTe₂ as a good match for GeI, preserving nontrivial quantum spin Hall phases. Nano Resear. 10 (8), 2823-2832.

73. Kou, L. Z. *, Ma, Y. D., Sun, Z. Q., Heine, T., Chen, C. F. (2017): Two dimensional topological insulators: Progress and prospects. J. Phys. Chem. Lett. 8(8), 1905-1919 (Review).

72. Jing, Y., Ma, Y. D., Li, Y. F.*, Heine, T. * (2017): GeP₃: A small indirect band gap 2D crystal with high carrier mobility and strong interlayer quantum confinement. Nano Lett. 17, 1833-1838.

71. Sun, Q. L., Dai, Y.*, Niu, C W., Ma, Y. D., Yu, L., Wei, W., Huang, B. B. (2017): Lateral topological crystalline insulator heterostructure. 2D Materi. 4, 025038.

2017年之前

70. Kou, L. Z.*, Ma, Y. D., Tang, C., Sun, Z. Q., Du, A. J., Chen, C. F., (2016): Auxetic and ferroelastic borophane: A novel 2D material with negative possion’s ratio and switchable Dirac transport channels. Nano Lett. 16, 7910–7914

69. Ma, Y. D.*, Kou, L. Z., Dai, Y., Heine. T.* (2016): Proposed two-dimensional topological insulator in SiTe. Phys. Rev. B 94, 201104 (Rapid Communication). 

68. Kou, L. Z.*, Ma, Y. D., Zhou, L. J., Sun, Z. Q., Gu, Y. T., Du, A. J., Smith, S. C., Chen, C. F. (2016): High-mobility anisotropic transport in few-layer γ-B28 films. Nanoscale 8, 20111-20117.

67. Liu, Q. Q., Dai, Y.*, Li, X. R., Ma, Y. D., Ma, X. C., Huang, B. B. (2016): Giant spin–orbit coupling topological insulator h-Ga₂Bi₂ with exotic O-bridge states. Nanoscale 8, 19066-19074.

66. Ma, Y. D.*, Kou, L. Z., Dai, Y., Heine. T.* (2016): Two-dimensional topological insulators in group-11 chalcogenide compounds: M₂Te (M=Cu, Ag). Phys. Rev. B 93 (23), 235451. 

65. Sun, Q. L., Dai, Y.*, Ma, Y. D., Yin, N., Wei, W., Yu, L., Huang, B. B. (2016): Design of lateral heterostructure from arsenene and antimonene. 2D Materi. 3, 3.

64. Li, X. R., Dai, Y.*, Ma, Y. D., Sun, Q. L., Wei, W., Huang, B. B. (2016): Exotic quantum spin Hall effect and anisotropic spin splitting in carbon based TMC₆ (TM = Mo, W) Kagome Monolayers. Carbon 109, 788-794.

63. Zhang, S. L., Xie, M. Q., Cai, B., Zhang, H. J., Ma, Y. D., Chen, Z. F., Zhu, Z., Hu, Z. Y., Zeng, H. B.* (2016): Semiconductor-topological insulator transition of two-dimensional SbAs induced by biaxial tensile strain. Phys. Rev. B 93, 245303.

62. Ma, Y. D.*, Kou, L. Z., Li, X., Dai, Y., Heine. T.* (2016): Room temperature quantum spin Hall states in two-dimensional crystals composed of pentagonal rings and their quantum wells. NPG Asia Mater. 8, e264.

61. Sun, Q. L., Dai, Y.*, Ma, Y. D., Jing, T., Wei, W., Huang, B. B*. (2016): Ab initio prediction and characterization of Mo₂C monolayer as anodes for lithium-ion and sodium-ion batteries. J. Phys. Chem. Lett. 7, 937-943.

60. Ma, Y. D.*, Kou, L. Z., Li, X., Dai, Y., Heine. T.* (2016): Two-dimensional transition metal dichalcogenides with a hexagonal lattice: Room-temperature quantum spin Hall insulators. Phys. Rev. B 93(3), 035442.

59. Juarez-Mosqueda, R.*, Ma, Y. D.*, Thomas, H.* (2016): Prediction of topological phase transition in X2–SiGe monolayers. Phys. Chem. Chem. Phys. 18, 3669-3674.

58. Liu, Q. Q., Dai, Y.*, Ma, Y. D., Li, X. R., Li, T. J., Niu, C. W.; Huang, B. B. (2016): Large gap quantum spin Hall insulators of hexagonal III-Bi monolayer. Sci. Rep. 6, 34861.

57. Kou, L. Z.*, Tan, X., Ma, Y. D., Tahini, H., Zhou, L. J., Sun, Z. Q., Du, A. J., Chen, C. F., Smith, S. C. (2015): Tetragonal bismuth bilayer: A stable and robust quantum spin hall insulator. 2D Mater. 2(4), 045010.

56. Zhang, H. J., Ma, Y. D., Chen, Z. F.* (2015): Quantum spin Hall insulators in strain-modified arsenene. Nanoscale 7(45), 19152-19159.

55. Ma, Y. D.*, Kou, L. Z., Li, X., Dai, Y., Smith, S. C., Heine. T.* (2015): Quantum spin Hall effect and topological phase transition in two-dimensional square transition metal dichalcogenides. Phys. Rev. B 92, 085427. 

54. Sun, Q. L., Dai, Y.*, Ma, Y. D., Wei, W., Yu, L., Huang, B. B. (2015): Ideal spintronics in molecule-based novel organometallic nanowires. Sci. Rep. 5, 12772. 

53. Kou, L. Z.*, Ma, Y. D., Yan B. H., Tan, X., Chen, C., Smith, S. C. (2015): Encapsulated silicene: A robust large-gap topological insulator. ACS Appl. Mater. Interfaces 7(34), 19226-19233. 

52. Ma, Y. D.*, Kou, L. Z., Du, A. J., Heine. T.* (2015): Group 14 element based noncentrosymmetric quantum spin Hall insulators with large bulk gap. Nano Research 8, 3412-3420. 

51. Sun, Q. L., Dai, Y.*, Ma, Y. D., Wei, W., Huang, B. B. (2015): Vertical and bidirectional heterostructures from graphyne and MSe₂ (M= Mo, W). J. Phys. Chem. Lett. 6, 2694-2701. 

50. Ma, Y. D.*, Li, X., Kou, L. Z., Yan, B. H., Niu, C. W., Dai, Y., Heine. T.* (2015): Two-dimensional inversion asymmetric topological insulators in functionalized III-Bi bilayers. Phys. Rev. B 91, 235306. 

49. Wei, W., Dai, Y.*, Niu, C. W., Li. X., Ma, Y. D., Huang, B. B. (2015): Electronic properties of two-dimensional van der Waals GaS/GaSe heterostructures. J. Mater. Chem. C 3(43), 11548-11554

48. Sun, Q. L., Dai, Y.*, Ma, Y. D., Li, X. R., Wei, W., Huang, B. B. (2015): Two-dimensional metalloporphyrin monolayers with intriguing electronic and spintronic properties. J. Mater. Chem. C 3, 6901-6907. 

47. Li, X. R., Dai, Y.*, Ma, Y. D., Liu, Q. Q., Huang, B. B. (2015): Prediction of large-gap quantum spin Hall insulator and rashba-dresselhaus effect in two-dimensional g-TlA (A= N, P, As, and Sb) monolayer films. Nano Research 8, 2954-2962. 

46. Kou, L. Z.*, Ma, Y. D., Smith, S. C., Chen, C. F. (2015): Anisotropic ripple deformation in phosphorene. J. Phys. Chem. Lett. 6, 1509-1513.

45. Ma, Y. D.*, Dai, Y., Kou, L. Z., Frauenheim, T., Heine. T.* (2015): Robust two-dimensional topological insulators in methyl-functionalized bismuth, antimony and lead bilayer films. Nano Lett. 15, 1083-1089.

44. Li, X. R., Dai, Y.*, Ma, Y. D., Liu, Q. Q., Huang, B. B. (2015): Intriguing electronic properties of two-dimensional MoS₂/TM₂CO₂ (TM= Ti, Zr, or Hf) hetero-bilayers: type-II semiconductors with tunable band gaps. Nanotechnology 26, 135703.

43. Sun, Q. L., Dai, Y.*, Ma, Y. D., Wei, W., Huang, B. B. (2015): Lateral heterojunctions within monolayer h-BN/graphene: A first-principles study. RSC Adv. 5, 33037-33043 

42. Kou, L. Z.*, Ma, Y. D., Tan, X., Frauenheim, T., Du, A. J., Smith, S. C., (2015): Structural and electronic properties of layered arsenic and antimony arsenide. J. Phys. Chem. C 119, 6918–6922.

41. Jin, H., Dai, Y.*, Ma, Y. D., Li, X. R., Wei, W., Yu, L., Huang, B. B. (2015): The electronic and magnetic properties of transition-metal element doped three-dimensional topological Dirac semimetal in Cd₃As₂. J. Mater. Chem. C 3, 3547-3551.

40. Ma, Y. D., Dai, Y.*, Wei, W., Huang, B. B., Whangbo, M. H. (2014): Strain-induced quantum spin Hall effect in methyl-substituted germanane GeCH₃. Sci. Rep. 4, 7297. 

39. Ma, Y. D., Dai, Y.*, Yin, N., Jin, T., Huang, B. B. (2014): Ideal two-dimensional systems with a gain Rashba-type spin splitting SrFBiS₂ and BiOBiS₂ nanosheets. J. Mater. Chem. C 2, 8539-8545.

38. Ma, Y. D., Dai, Y.*, Li, X. R., Sun, Q. L., Huang, B. B. (2014): Prediction of two-dimensional materials with half-metallic Dirac cones: Ni₂C₁₈H₁₂ and Co₂C₁₈H₁₂. Carbon 73, 382-388.

37. Li, X. R., Dai, Y.*, Ma, Y. D., Huang, B. B. (2014): Electronic and magnetic properties of honeycomb transition metal monolayers: First-principles insights. Phys. Chem. Chem. Phys. 16, 13383-13389.

36. Li, X. R., Dai, Y.*, Ma, Y. D., Han S. H., Huang, B. B. (2014): Graphene/g-C₃N₄ bilayer: Considerable band gap opening and effective band structure engineering. Phys. Chem. Chem. Phys. 16, 4230-4235.

35. Ma, Y. D., Dai, Y.*, Huang, B. B. (2014): Realization of controlling the band alignment via atomic substitution. Carbon 69, 495-501.

34. Ma, Y. D., Dai, Y.*, Wei, W., Li, X. R., Huang, B. B. (2014): Emergence of electric polarity in BiTeX (X=Br and I) monolayers and the giant Rashba spin splitting. Phys. Chem. Chem. Phys. 16, 17603-17609.

33. Ma, Y. D., Dai, Y.*, Lu, Y. B., Huang, B. B. (2014): Effective bandgap engineering in wrinkled germanane via tiny electric field. J. Mater. Chem. C 2, 1125-1130.

32. Ma, Y. D., Dai, Y.*, Huang, B. B. (2013): Dirac cones in two-dimensional lattices: Janugraphene and chlorographene. J. Phys. Chem. Lett. 4, 2471-2476.

31. Niu, C. W., Dai, Y.*, Guo, M., Ma, Y. D., Huang, B. B., Whangbo, M.-H. (2013): Tunable topological surface and realization of insulating massive Dirac fermion state in Bi₂Te₂Se with co-substitution. J. Mater. Chem. C 1, 114-120.

30. Ma, Y. D., Dai, Y.*, Yu, L., Niu, C. W., Huang, B. B. (2013): Engineering a topological phase transition in β-InSe via strain. New J. Phys. 15, 073008.

29. Ma, Y. D., Dai, Y.*, Wei, W., Yu, L., Huang, B. B. (2013): Novel two-dimensional tetragonal monolayer: Metal-TCNQ networks. J. Phys. Chem. A 117, 5171-5177.

28. Ma, Y. D., Dai, Y.*, Wei, W., Huang, B. B. (2013): Engineering intriguing electronic and magnetic properties in novel one-dimensional staircase-like metallocene wires. J. Mater. Chem. C 1, 941-946.

27. Ma, Y. D., Dai, Y.*, Guo, M., Yu, L., Huang, B. B. (2013): Tunable electronic and dielectric behavior of GaS and GaSe monolayers. Phys. Chem. Chem. Phys. 15, 7098-7105.

26. Ma, Y. D., Dai, Y.*, Li, X. R., Li, Z. J., Huang, B. B. (2013): First-principles study of one-dimensional sandwich wires [(P)₅TM]∞ (TM=Ti, V, Cr, Mn, Fe, Co). J. Phys.: Condens. Matter. 25, 395503.

25. Niu, C. W., Dai, Y.*, Ma, Y. D., Huang, B. B. (2013): Material realization of topological crystalline insulators: Role of strain and spin-orbit coupling. Mater. Express 3, 159-165. 

24. Sun, Q. L., Dai, Y.*, Ma, Y. D., Ma, X. C., Huang, B. B. (2013): Electronic and molecular behaviors of a novel ionic paramagnetic ruthenium (III) complex. Phys. Chem. Chem. Phys. 15, 15392-15398.

23. Li, X. R., Ma, Y. D., Dai, Y.*, Huang, B. B. (2013): Electronic and magnetic properties of one dimensional sandwich polymers: [(Ge₅)TM]∞ (TM= Ti, V, Cr, Mn, Fe). J. Mater. Chem. C 1, 4565-4569.

22. Ma, Y. D., Dai, Y.*, Guo, M., Niu, C. W., Zhu, Y. T., Huang, B. B. (2012): Evidence of the existence of magnetism in pristine VX₂ monolayers (X = S, Se) and their strain-induced tunable magnetic properties. ACS Nano 6, 1695-1701.

21. Ma, Y. D., Dai, Y.*, Niu, C. W., Huang, B. B. (2012): Halogenated two-dimensional germanium: Candidate materials for being of quantum spin Hall state. J. Mater. Chem. 22, 12587-12591.

20. Niu, C. W., Dai, Y.*, Zhu, Y. T., Ma, Y. D., Yu, L., Han, S. H., Huang, B. B. (2012): Realization of tunable Dirac cone and insulating bulk states in topological insulators (Bi_1-xSb_x)₂Te₃. Sci. Rep. 2, 976. 

19. Wang, J. P., Wang, Z. Y., Huang, B. B.*, Ma, Y. D., Liu, Y. Y., Qin, X. Y., Zhang, X. Y., Dai, Y. (2012): Oxygen vacancy induced band-gap narrowing and enhanced visible light photocatalytic activity of ZnO. ACS Appl. Mater. Interfaces 4, 4024-4030.

18. Ma, Y. D., Dai, Y,*, Guo, M., Huang, B. B. (2012): Graphene-diamond interface: Gap opening and electronic spin injection. Phys. Rev. B 85, 235448.

17. Ma, Y. D., Dai, Y.*, Zhang, Z. K., Yu, L., Huang, B. B. (2012): Magnetic properties of phthalocyanine-based organometallic nanowire. Appl. Phys. Lett. 101, 062405.

16. Ma, Y. D., Dai, Y.*, Guo, M., Niu, C. W., Huang, B. B. (2012): Intriguing behavior of halogenated two-dimensional tin. J. Phys. Chem. C 116, 12977-12981.

15. Wei, W., Dai, Y.*, Guo, M., Ma, Y. D., Huang, B. B. (2012): Atomic Pt and molecular H₂O adsorptions on SrTiO₃ with and without Nb-doping: Electron trapping center and mediating roles of Pt in charge transfer from semiconductor to water. J. Solid State Chem. 187, 64-69.

14. Lu, J. B., Dai, Y.*, Guo, M., Wei, W., Ma, Y. D., Han, S. H., Huang, B. B. (2012): Structure and electronic properties and phase stabilities of the Cd(1-x)Zn(x)S solid solution in the range of 0≤x≤1. ChemPhysChem 13, 147-154.

13. Ma, Y. D., Dai, Y.*, Guo, M., Niu, C. W., Zhu, Y. T., Huang, B. B. (2012): Electronic and magnetic properties of the two-dimensional C₄H-type polymer with strain effects, intrinsic defects and foreign atom substitutions. Phys. Chem. Chem. Phys. 14, 3651-3658.

12. Niu, C. W., Dai, Y.*, Zhu, Y. T., Lu, J. B., Ma, Y. D., Huang, B. B. (2012): Topological phase transition and unexpected mass acquisition of Dirac fermion in TlBi(S_1-xSe_x)₂. Appl. Phys. Lett. 101, 182101.

11. Niu, C. W., Dai, Y.*, Zhang, Z. K., Ma, Y. D., Huang, B. B. (2012): Ferromagnetism and manipulation of topological surface states in Bi₂Se₃ family by 2p light elements. Appl. Phys. Lett. 100, 252410.

10. Ma, Y. D., Dai, Y.*, Guo, M., Niu, C. W., Huang, B. B. (2011): Graphene adhesion on MoS₂ monolayer: An ab initio study. Nanoscale 3, 3883-3887.

9. Ma, Y. D., Dai, Y.*, Guo, M., Niu, C. W., Yu, L., Huang, B. B. (2011): Strain-induced magnetic transitions in half-fluorinated single layers of BN, GaN and graphene. Nanoscale 3, 2301-2306.

8. Ma, Y. D., Dai, Y.*, Wei, W., Niu, C. W., Yu, L., Huang, B. B. (2011): First-principles study of the Graphene@MoSe₂ heterobilayers. J. Phys. Chem. C 115, 20237-20241.

7. Ma, Y. D., Dai, Y.*, Guo, M., Niu, C. W., Yu, L., Huang, B. B. (2011): Magnetic properties of the semifluorinated and semihydrogenated 2D sheets of group-IV and III-V binary compounds. Appl. Surf. Sci. 257, 7845-7850.

6. Ma, Y. D., Dai, Y.*, Huang, B. B. (2011): Magnetism in non-transition-metal doped CdS studied by density functional theory. Comp. Mater. Sci. 50, 1661-1666.

5. Niu, C. W., Dai, Y.*, Yu, L., Guo, M., Ma, Y. D., Huang, B. B. (2011): Quantum anomalous Hall effect in doped ternary chalcogenide topological insulators TlBiTe₂ and TlBiSe₂. Appl. Phys. Lett. 99, 142502.

4. Ma, Y. D., Dai, Y.*, Guo, M., Niu, C. W., Lu, J. B., Huang, B. B. (2011): Electronic and magnetic properties of perfect, vacancy-doped, and nonmetal adsorbed MoSe₂, MoTe₂ and WS₂ monolayers. Phys. Chem. Chem. Phys. 13, 15546-15553.

3. Ma, Y. D., Dai, Y.*, Wei, W., Liu, X. H., Yu, L., Huang, B. B. (2011): Ag adsorption on Cd-terminated CdS (0001) and S-terminated CdS (000-1) surfaces: First-principles investigations. J. Solid  State Chem. 184, 747-752.

2. Niu, C. W., Dai, Y.*, Guo, M., Ma, Y. D., Huang, B. B. (2011): Mn induced ferromagnetism and modulated topological surface states in Bi₂Te₃. Appl. Phys. Lett. 98, 25250.

1. Ma, Y. D., Dai, Y.*, Jin, H., Huang, B. B. (2010): Study of ammonia molecule adsorbing on diamond (100) surface. Appl. Surf. Sci. 256, 4136-4141.

1. Topological magnetism, i.e., skyrmions, bimerons, in low dimensional materials.

2. Ferroics and multiferroics in low-dimensional materials.

3. Valley physics in low-dimensional materials.