一直从事半导体微结构与其性能(热、电、磁)之间构效关系研究。近期主要集中于新型二维材料在光催化分解水制氢方面的应用和机理探索,关注于二维异质结产氢性能的实验评估和第一性原理数值模拟,致力于提高光催化性能的优化和提升。
Chen D., Wang C. L, Liu F. F.,Peng C. X.∗, “Variation of magnetism in a two-dimensional non-van der Waals MnS2bilayer,” Applied Surface Science, vol. 609, p. 155 336, 2023.
Chen X. F., Han W. N., Tian Z. Z., Yue Q.,Peng C. X.∗, Wang C., Wang B., Yin H. B., Gu Q. F., “Exploration of Photocatalytic Overall Water Splitting Mechanisms in the Z-Scheme SnS2/β -As Heterostructure,” The Journal of Physical Chemistry C, vol. 127, pp. 6347–6355, 2023.
Chen X. F., Han W. N., Jia M. L., Ren F. Z.,Peng C. X.∗, Gu Q. F., Wang B., Yin H. B., “A direct Z-scheme MoSi2N4/BlueP vdW heterostructure for photocatalytic overall water splitting,” Journal of Physics D-Applied Physics, vol. 55, p. 215 502, 2022.
Du X., Wang X., Xiao N. R., Tang Y. H.,Peng C. X.∗, Wang K. F., “Atomic structure, electronic structure and optical absorption of inorganic perovskite compounds Cs2SnI6−nXn(X = F, Cl, Br; n = 0∼6): A first-principles study,” Solar Energy, vol. 245, pp. 25–36, 2022.
Fan W. J., Jin C.,Peng C. X.∗, Ren F. Z., Li G. Q., Gu Q. F., “SrTiO3/Ti3C2TxSchottky heterojunction as a promising high-efficiency photocatalyst for H2evolution,” Applied Physics Letters, vol. 121, p. 14 305, 2022.
Han W. N., Chen X. F., Jia M. L., Ren F. Z.,Peng C. X.∗, Yang H. G., Gu Q. F., Wang B., Yin H. B., “Adirect Z-scheme g-C6N6/InP van der Waals heterostructure: a promising photocatalyst for high-efficiency overall water splitting,” Journal of Physics D-Applied Physics, vol. 55, p. 264 001, 2022.
Li S. Y.,Peng C. X.∗, Wang C., Chen Y. Q., Li L. W., Yang G., Cheng, Z. X., Wang, J. L., “In situ generation of flower-like and microspherical dendrites to improve thermoelectric properties of p-type Bi0.46Sb1.54Te3,” Materials Today Physics, vol. 23, p. 100 633, 2022.
Ojih J., Onyekpe U., Rodriguez A., Hu J. J.,Peng C. X.∗, Hu M., “Machine learning accelerated discovery of promising thermal energy storage materials with high heat capacity,” Acs Applied Materials & Interfaces, vol. 14, pp. 43 277–43 289, 2022.
Peng C. X., Fan W. J., Li Q., Han W. N., Chen X. F., Zhang G. B., Yan Y. L. Gu Q. F., Wang C., Zhang H. R., Zhang P. Y., “Boosting photocatalytic activity through tuning electron spin states and external fields,” Journal of Materials Science Technology, vol. 115, pp. 208–220, 2022.
Li L. W.,Peng C. X.∗, Chen J., Ma Z., Chen Y. Q., Li S. Y., Wang J. L., Wang C., “Study the effect of alloying on the phase transition behavior and thermoelectric properties of Ag2S,” Journal of Alloys and Compounds, vol. 886, p. 161 241, 2021.
Liu L,Peng C. X.∗, Feng Z. Z., Yan Y. L., Zhang. G. B., Wang C., Zhang P. Y., Gu Q. F., “A Colossal Enhancement of Thermoelectric Performance of Monolayer SbAs Using Strain Engineering,” Physica Status Solidi-Rapid Research Letters, vol. 15, p. 2 100 175, 2021.
Liu L.,Peng C. X.∗, Jiang S. J., Feng Z. Z., Zhang G. B., Wang C., Zhang P. Y., Hu M., “The lattice thermal conductivity in monolayers group-VA: from elements to binary compounds,” Materials Research Express, vol. 8, p. 075 007, 2021.
1Li J. Y., Zhang G. B.,Peng C. X., Wang W. X., Yang, J. F., Wang Y. X., Cheng Z. X., “Magneto-Seebeck effect in Co2FeAl/MgO/Co2FeAl: first-principles calculations,” Physical Chemistry Chemical Physics, vol. 21, pp. 5803–5812, 2019.
Peng C. X., Qin G. Z., Zhang L. C., Zhang G. B., Wang C., Yan Y. L., Wang Y. X., Hu M., “Dependence of phonon transport properties with stacking thickness in layered ZnO,” Journal of Physics D-Applied Physics, vol. 51, p. 315 303, 2018.
Peng C. X., Zhang G. B.,Wang C., Yan Y. L., Zheng H. W., Wang Y. X., Hu M., “Improvement of Thermoelectricity Through Magnetic Interactions in Layered Cr2Ge2Te6,” Physica Status Solidi-Rapid Research Letters, vol. 12, p. 1 800 172, 2018.
Feng Z. Z., Zhang J. H., Yan Y. L., Zhang G. B., Wang C.,Peng C. X., Ren F. Z., Wang Y. X., Cheng Z. X., “Ag-Mg antisite defect induced high thermoelectric performance of α-MgAgSb,” Scientific Reports, vol. 7, p. 2572, 2017.
Yan Y. L., Zhang G. B., Wang C.,Peng C. X., Zhang P. H., Wang Y. X., Ren W., “Optimizing the Dopant and Carrier Concentration of Ca5Al2Sb6for High Thermoelectric Efficiency,” Scientific Reports, vol. 6, p. 29 550, 2016.
Peng C. X., Wang Y. X., Cheng Z. X., Zhang G. B., Wang C., Yang G., “Tuning magnetism by biaxial strain in native ZnO,” Physical Chemistry Chemical Physics, vol. 17, pp. 16 536–16 544, 2015.
Zhang G. B., Wang Y. X., Cheng Z. X., Yan Y. L.,Peng C. X., Wang C., Dong S., “A class of rare antiferromagnetic metallic oxides: double perovskite AMn3V4O12(A = Na+, Ca2+, and La3+) and the site-selective doping effect,” Physical Chemistry Chemical Physics, vol. 17, pp. 12 717–12 721, 2015.
Wang C., Wang Y. X., Zhang G. B.,Peng C. X., Yang G., “Theoretical investigation of the effects of doping on the electronic structure and thermoelectric properties of ZnO nanowires,” Physical Chemistry Chemical Physics, vol. 16, pp. 3771–3776, 2014.
Lv Z. C., Ma X. P., Zheng H. W., An R.,Peng C. X., Liu J. D., Ye B. J., Diao C. L., Liu X. Y., Zhang W. F., “Room temperature ferromagnetism induced by N-ion implantation in 6H-SiC single crystal,” Materials Letters, vol. 93, pp. 374–376, 2013.
Peng C. X., Wang Y. X., Zhang G. B., Wang C., “Tuning the Magnetism by CO Adsorption in Graphene-Like ZnO with Defect,” Journal of the Physical Society of Japan, vol. 82, p. 064 702, 2013.
Wang C., Wang Y. X., Zhang G. B.,Peng C. X., “Electronic Structure and Thermoelectric Properties of ZnO Single-Walled Nanotubes and Nanowires,” Journal of Physical Chemistry C, vol. 117, pp. 21 037–21 042, 2013.
Zheng H. W., Yan Y. L., Lv Z. C.,Yang S. W.,Li X. G.,Liu J. D.,Ye B. J.,Peng C. X., Diao C. L., Zhang W. F., “Room-temperature ferromagnetism in Cu-implanted 6H-SiC single crystal,” Applied Physics Letters, vol. 102, p. 142 409, 2013.
Peng C. X., Liang Y., Wang K. F., Zhang Y., Zhao G. F., Wang Y. X., “Possible Origin of Ferromagnetism in an Undoped ZnO d0 Semiconductor,” Journal of Physical Chemistry C, vol. 116, pp. 9709–9715, 2012.
Zhang Y., Li X. H.,Peng C. X., “Modification of Photoluminescence Properties of ZnO Island Films by Localized Surface Plasmons,” Chinese Physics Letters, vol. 29, p. 107 803, 2012.