More Information：Researcher ID  Google Scholar

  2025 年

206 Liu, Y. B., Feng, Y. Y., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2024): Ferro-Valleytricity with In-Plane Magnetization. Nano Lett. accepted.

205 He, Z. L., Du. W. H., Dou, K. Y., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2025): Coupling Multi-space Topologies in 2D Ferromagnetic Lattice. Adv. Funct. Mater. ACCEPTED.

  2024 年

204 Feng, Y. Y., Zhao, J. Y., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2024): Atypical Breathing Driven Two-Dimensional Valley Multiferroicity. Mater. Horiz. 11, 6391-6398.

203 Wang, J. X., Feng, Y. Y., Dai, Y.*, Huang, B. B., Ma, Y. D.*, Li, X. R.* (2024):  PT-symmetry breaking induced anomalous valley Hall effect in 2D antiferromagnetic semiconductor. J. Phys. Chem. Lett. 15, 39, 9968–9973.

202 Dou, K. Y., He, Z. L., Zhao, J. Y., Du. W. H., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2024): Engineering topological spin Hall effect in 2D multiferroic material. Adv. Sci. 11, 2407982.

201 Chai, S. Y., Feng, Y. Y., Dai, Y.*, Huang, B. B., Kou, L. Z.*, Ma, Y. D.* (2024):  Ferrovalleytricity in a Two-Dimensional Antiferromagnetic Lattice. Mater. Horiz. 11, 6082.

200 Wang, X. D., He, Z. L., Dai, Y.*, Huang, B. B., Li, X. R. *, Ma, Y. D.* (2024):  Anomalous dual valley Hall effect in the two-dimensional ferromagnetic honeycomb lattice Phys. Rev. B 110, 155428.

199 Zhao, J. Y., Feng, Y. Y., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2024): Ferroelectrovalley in Two-Dimensional Multiferroic Lattices. Nano Lett. 24,10490.

198 Yang, J. H., Dou, K. Y., Li, X. R., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2024): Strain-Driven Skyrmion-Bimeron Switching in Topological Magnetic Monolayer CrSeBr. Mater. Horiz. 11, 5374-5380.

197 Chai, S. Y., Wu, Q., Zhang, T., Zhang, G. P., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2024):  Semiconducting Triferroic Multiferroics in van der Waals Bilayer Lattice. Phys. Rev. Applied 22, 024052.

196 Feng, Y. Y., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2024):  Sliding Ferroelectricity Engineered Coupling between Spin Hall Effect and Layertronics in 2D Lattice. J. Phys. Chem. Lett. 15, 6699.

195 Lu S.^†, He Z.^†, Pan Y., Guo Z., Yang Y., Wu F., Song Y., Li Z., Liu Z., Liu Z., Shen D., Chen L., Ma Y. D.,* Tang S.,* Xie, X. (2024):  Out-of-Plane Superexchange Interaction Enhanced Ferromagnetism in Semiconducting Monolayer Cr2Se3. Adv. Funct. Mater. 34, 2406339.

194 Huang H.^†, Zhang T.^†, Ren, Z., Ma, Y. D.*, Guo, Y., Dong J. C. *, Liu, Y. X.* (2024): Stability of 2D crystals from Tessellation. Adv. Funct. Mater. 34, 2400380.

193 Liu, Y. B., Feng, Y. Y., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2024): Engineering Layertronics in Two-Dimensional Ferromagnetic Multiferroic Lattice. Nano Lett. 24, 11, 3507–3514.

192 Du. W. H., He, Z. L., Dou, K. Y., Li, X. R., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2024): Chiral Magnetic Quasiparticles with Zero Topological Charge in 2D Lattice. Adv. Funct. Mater. 34, 2400971.

191 Zhang, T.*, Xu, X. L., Guo, J., Dai, Y., Ma, Y. D.* (2024): Layer-polarized anomalous Hall effects from inversion symmetric single-layer lattice. Nano Lett. 24, 1009.

190 Zang, Y. M., Wu. Q., Wang, S. H., Huang, B. B., Dai, Y.*, Heine, T. *, Ma, Y. D.* (2024): Unveiling Pseudo-Inert Basal Plane for Electrocatalysis in 2D Semiconductors: Critical Role of Reversal-Activation Mechanism. Adv. Energy Mater. 14, 2303953.

189 He, Z. L., Dou, K. Y., Du. W. H., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2024): Mixed Bloch-Néel type skyrmions in a two-dimensional lattice. Phys. Rev. B 109, 024420.

  2023 年

188 Ju, L., Ma, Y. D., Tan, X.*, Kou, L. Z.* (2023): Controllable Electrocatalytic to Photocatalytic Conversion in Ferroelectric Heterostructures. J. Am. Chem. Soc. 145, 26393.

187 Du. W. H., Dou, K. Y., He, Z. L., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2023): Bloch-type magnetic skyrmions in two-dimensional lattices. Mater. Horiz. 10, 5071-5078.

186 Shen, S., Ai, H., Ma, Y. D., Bai, H., Du, X., Li, F., Pan, H.* (2023): n-plane ferroelectric monolayer TlNbX4O and its application in bulk photovoltaic effect. Appl. Phys. Lett. 123, 052901.

185 Liu, J., Lv, X., Ma, Y. D., Smith, S. C., Gu, Y. T.*, Kou, L. Z.* (2023): Electrocatalytic Urea Synthesis via N2 Dimerization and Universal Descriptor. ACS Nano 2023, 17, 24, 25667–25678.

184 Liu, Y. B., Feng, Y. Y., Zhang, T., He, Z. L., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2023): Strain-Valley Coupling in 2D Antiferromagnetic Lattice. Adv. Funct. Mater. 33, 2305130.

183 He, Z. L., Du. W. H., Dou, K. Y., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2023): Ferroelectrically tunable magnetic skyrmions in two-dimensional multiferroics. Mater. Horiz. 10, 3450-3457.

182 Feng, Y. Y., Dai, Y.*, Huang, B. B., Kou, L. Z. *, Ma, Y. D.* (2023): Layer Hall effect in multiferroic two-dimensional materials. Nano Lett. 23, 11, 5367–5372.

181 Xu, X. L., Zhang, T., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2023): Nonvolatile Electro-Mechanical Coupling in Two-Dimensional Lattices. Nanoscale Horiz. 8, 958-964.

180 Dou, K. Y., He, Z. L., Du. W. H., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2023): d⁰ magnetic skyrmions in two-dimensional lattice. Adv. Funct. Mater. 2301817.

179 Zang, Y. M., Wu, Q.*, Wang, S. H., Huang, B. B., Dai, Y.*, Ma, Y. D.* (2023): Activating dual atomic electrocatalysts for the nitric oxide reduction reaction through the P/S element. Mater. Horiz. 10, 2160-2168.

178 Peng, R., Zhang, T., He, Z. L., Wu, Q., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2023): Intrinsic layer-polarized anomalous Hall effect in bilayer MnBi₂Te₄. Phys. Rev. B 107, 085411.

177 Zang, Y. M., Wu, Q., Wang, S. H., Huang, B. B., Dai, Y.*, Ma, Y. D.* (2023): Coupling a main group metal with a transition metal to create biatom catalysts for nitric oxide reduction. Phys. Rev. Applied 19, 024003.

176 He, Z. L., Dou, K. Y., Du. W. H., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2023): Multiple Topological Magnetism in van der Waals Heterostructure of MnTe₂/ZrS₂. Nano Lett. 23, 312.

175 Dou, K. Y., Du. W. H., He, Z. L., Dai, Y.*, Huang, B. B., Ma, Y. D.* (2023): Theoretical prediction of antiferromagnetic skyrmion crystal in Janus monolayer CrSi₂N₂As₂. ACS Nano 17, 1144.

174 Zhang, T., Xu, X. L., Huang, B. B., Dai, Y.*, Kou, L. Z., Ma, Y. D.* (2023): Layer-Polarized Anomalous Hall Effect in Valleytronic van der Waals Bilayers. Mater. Horiz., 10, 483-490.

173 Zhao, P., Liang, Y.*, Ma, Y. D.*, Frauenheim, T (2023): Valley physics and anomalous valley Hall effect in single-layer h−MNX ( M=Ti , Zr, Hf; X=Cl, Br). Phys. Rev. B 1107, 035416.

172 Guo W. Q., Zou. Y., Zang, Y. M., Zhao, X. L., Zhou, W. J., Dai, Y., Liu, H., Wang, J. J.*, Ma, Y. D.*, Sang, Y. H.* (2023): Magnetic-field-regulated Ni-Fe-Mo ternary alloy electrocatalysts with enduring spin polarization enhanced oxygen evolution reaction. Chemical Engineering Journal 455, 140821.

2022 年

171 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 106, 205307.

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.