目前正在承担国家自然科学基金NSAF联合资助基金项目一项，直接经费64万。
论文、成果、著作等
| 1.Zhou, R.; Qu, B.; Li, D.; Sun, X.; Zeng, X. C. Anatase (101) Reconstructed Surface with Novel Functionalities: Desired Bandgap for Visible Light Absorption and High Chemical Reactivity. Adv. Funct. Mater. 2018, 28 (8), 1705529.
2.Lei, Y.; Sun, X.; Zhou, R.; Zhang, B. Embedded atom method potentials for Ce-Ni binary alloy. Computational Materials Science 2018, 150, 1-8.
3.Zhou, R.; Dai, J.; Cheng Zeng, X. Structural, electronic and mechanical properties of sp3-hybridized BN phases. Phys. Chem. Chem. Phys. 2017, 19 (15), 9923-9933.
4.Wang, L.; Zhang, J. H.; Qu, B. Y.; Wu, Q. S.; Zhou, R. L.; Li, D. D.; Zhang, B.; Ren, M. X.; Zeng, X. C. Mechanistic insights into tunable luminescence and persistent luminescence of the full-color-emitting BCNO phosphors. Carbon 2017, 122, 176-184.
5.Sun, X.; Zhou, R.; Zhang, B. Correlation between the electronic structure, topologic structure and dynamic properties of liquid cerium. Phys. Chem. Chem. Phys. 2017, 19 (45), 30498-30503.
6.Sun, X.; Lei, Y.; Zhou, R.; Qu, B.; Li, D.; Zhang, B.; Zeng, X. C. New phases of 3d-transition metal-cerium binary compounds: an extensive structural search. RSC Advances 2017, 7 (64), 40486-40498.
7.Li, D.; Chen, H.; Sun, X.; Qu, B.; Zhou, R.; Zhang, B. Structural evolution and atomic diffusion behavior in the Ce70Al10Cu20 melt under compression: A theoretical study using ab-initio molecular dynamics simulations. J. Appl. Phys. 2017, 122 (13), 135106.
8.Zhou, R.; Li, D.; Qu, B.; Sun, X.; Zhang, B.; Zeng, X. C. Rutile TiO2(011)-2 × 1 Reconstructed Surfaces with Optical Absorption over the Visible Light Spectrum. ACS Appl Mater Interfaces 2016, 8 (40), 27403-27410.
9.Qu, B.; Zhang, B.; Wang, L.; Zhou, R.; Zeng, X. C.; Li, L. Persistent Luminescence Hole-Type Materials by Design: Transition-Metal-Doped Carbon Allotrope and Carbides. ACS Appl Mater Interfaces 2016, 8 (8), 5439-5444.
10.Qu, B.; Li, D.; Wang, L.; Wu, J.; Zhou, R.; Zhang, B.; Zeng, X. C. Mechanistic study of pressure and temperature dependent structural changes in reactive formation of silicon carbonate. RSC Advances 2016, 6 (32), 26650-26657.
11.Li, D.; Qu, B.; He, H. Y.; Zhang, Y. G.; Xu, Y.; Pan, B. C.; Zhou, R. The influence of liquid Pb-Bi on the anti-corrosion behavior of Fe3O4: a first-principles study. Phys. Chem. Chem. Phys. 2016, 18 (11), 7789-7796.
12.Li, D.; Li, P.; Qu, B.; Pan, B. C.; Zhang, B.; He, H. Y.; Zhou, R. New structures of bilayer germanium nanosheets predicted by a particle swarm optimization method. Nanoscale 2016, 8 (36), 16467-16474.
13.Qu, B.; Zhang, B.; Wang, L.; Zhou, R.; Zeng, X. C. Mechanistic Study of the Persistent Luminescence of CaAl2O4:Eu,Nd. Chem. Mater. 2015, 27, 2915-2202.
14.Li, P.; Zhou, R.; Zeng, X. C. Computational Analysis of Stable Hard Structures in the Ti–B System. ACS Appl Mater Interfaces 2015, 7 (28), 15607-15617.
15.Zhou, R.; Qu, B.; Zhang, B.; Lib, P.; Zeng, X. C. Role of vacancies to p-type semiconducting properties of SiGe nanowires. Journal of Materials Chemistry C 2014, 2 (32), 6536-6546.
16.Zhou, R.; Qu, B.; Dai, J.; Zeng, X. C. Unraveling Crystalline Structure of High-Pressure Phase of Silicon Carbonate. Physical Review X 2014, 4 (1), 011030.
17.Li, P.; Zhou, R.; Zeng, X. C. The search for the most stable structures of silicon-carbon monolayer compounds. Nanoscale 2014, 6 (20), 11685-11691.
18.Li, P.; Zhou, R.; Pan, B.; Zeng, X. C. Efficient electron and hole doping in compositionally abrupt Si/Ge nanowires. Nanoscale 2013, 5 (9), 3880-3888.
19.Zhou, R.; Zeng, X. C. Polymorphic Phases of sp(3)-Hybridized Carbon under Cold Compression. J. Am. Chem. Soc. 2012, 134 (17), 7530-7538.
20.Zhou, R. L.; Zuo, R. Z.; Wang, L.; Zhang, B. H.; Pan, B. C. Size- and surface-dependent electronic structures of crystalline SiC nanotubes. J. Appl. Phys. 2011, 109 (8).
21.Zhou, R.; Wei, X.; He, K.; Shield, J. E.; Sellmyer, D. J.; Zeng, X. C. Theoretical and Experimental Characterization of Structures of MnAu Nanoclusters in the Size Range of 1-3 nm. Acs Nano 2011, 5 (12), 9966-9976.
22.Zhou, R.; Liu, R.; Li, L.; Wu, X.; Zeng, X. C. Carbon Nanotube Superarchitectures: An Ab lnitio Study. Journal of Physical Chemistry C 2011, 115 (37), 18174-18185.
23.Zhou, R. L.; Wang, L.; Pan, B. C. Elastic and Melting Properties of Crystalline SiC Nanotubes. Journal of Physical Chemistry C 2010, 114 (18), 8199-8205.
24.Zhou, R. L.; Zhao, L. Y.; Pan, B. C. Compressing liquid: An efficient global minima search strategy for clusters. J. Chem. Phys. 2009, 131 (3).
25.Zhou, R. L.; Pan, B. C. Improved endohedral fullerenelike structures of silicon clusters Si-31-Si-39 by density functional calculations. EPJD 2008, 47 (3), 367-372.
26.Zhou, R. L.; Pan, B. C. Low-lying isomers of Si(n)(+) and Si(n)(-) (n=31-50) clusters. J. Chem. Phys. 2008, 128 (23).
27.Zhou, R. L.; Pan, B. C. Identification of silicon clusters by electron diffraction spectra. Journal of Physical Chemistry C 2007, 111 (16), 5850-5854.
28.Zhou, R. L.; Pan, B. C. Structural features of silicon clusters Si-n (n=40-57, 60). Phys. Lett. A 2007, 368 (5), 396-401.
29.Zhou, R. L.; He, H. Y.; Pan, B. C. Enhancing the topological structures of defected carbon nanotubes with adsorbed hydrocarbon radicals at low temperatures. Phys. Rev. B 2007, 75 (11).
30.Zhou, R. L.; Pan, B. C. Possible lowest-reactivity structure of the silicon cluster Si-45. Phys. Rev. B 2006, 73 (4). |
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