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Featured researches published by R. Q. Zhang.


ACS Nano | 2010

Tunable Electrical Properties of Silicon Nanowires via Surface-Ambient Chemistry

Guodong Yuan; Yixiao Zhou; C. S. Guo; Wenjun Zhang; Yongbing Tang; Yanyong Li; Z. H. Chen; Zhubing He; Xue-Jin Zhang; Pengfei Wang; I. Bello; R. Q. Zhang; Chun-Sing Lee; Shuit-Tong Lee

p-Type surface conductivity is a uniquely important property of hydrogen-terminated diamond surfaces. In this work, we report similar surface-dominated electrical properties in silicon nanowires (SiNWs). Significantly, we demonstrate tunable and reversible transition of p(+)-p-i-n-n(+) conductance in nominally intrinsic SiNWs via changing surface conditions, in sharp contrast to the only p-type conduction observed on diamond surfaces. On the basis of Si band energies and the electrochemical potentials of the ambient (pH value)-determined adsorbed aqueous layer, we propose an electron-transfer-dominated surface doping model, which can satisfactorily explain both diamond and silicon surface conductivity. The totality of our observations suggests that nanomaterials can be described as a core-shell structure due to their large surface-to-volume ratio. Consequently, controlling the surface or shell in the core-shell model represents a universal way to tune the properties of nanostructures, such as via surface-transfer doping, and is crucial for the development of nanostructure-based devices.


Nanotechnology | 2007

Structural and electronic properties of ZnO nanotubes from density functional calculations

Hu Xu; R. Q. Zhang; Xiaohong Zhang; A. L. Rosa; Th. Frauenheim

The structural and electronic properties of armchair and zigzag ZnO nanotubes were studied using density functional theory with the generalized gradient approximation. It was found that the strain energy required for rolling a ZnO graphitic sheet into a tube is lower than those for BN and GaN nanotubes. Both the armchair and zigzag ZnO nanotubes were found to be direct gap semiconductors with the gaps decreasing with the diameter increase.


Journal of Chemical Theory and Computation | 2011

Electron Transport Suppression from Tip-π State Interaction on Si(100)-2 × 1 Surfaces.

K .P. Dou; W. Fan; Thomas A. Niehaus; Thomas Frauenheim; C. L. Wang; X. H. Zhang; R. Q. Zhang

We investigate the electron transport between a scanning tunneling microscope tip and Si(100)-2 × 1 surfaces with four distinct configurations by performing calculations using density functional theory and the nonequilibrium Greens function method. Interestingly, we find that the conducting mechanism is altered when the tip-surface distance varies from large to small. At a distance larger than the critical value of 4.06 Å, the conductance is increased with a reduction in distance owing to the π state arising from the silicon dimers immediately under the tip; this in turn plays a key role in facilitating a large transmission probability. In contrast, when the tip is closer to the substrate, the conductance is substantially decreased because the π state is suppressed by the interaction with the tip, and its contribution in the tunneling channels is considerably reduced.


Journal of Physics D | 2007

Using different carrier gases to control AlN film stress and the effect on morphology, structural properties and optical properties

Wei Hu; Xue-Yuan Liu; Chunmei Jiao; H. Y. Wei; Ting-Ting Kang; Pengqiang Zhang; R. Q. Zhang; Haibo Fan; Q. S. Zhu

On the metalorganic chemical vapour deposition growth of AlN, by adjusting H-2+N-2 mixture gas components, we can gradually control island dimension. During the Volmer - Weber growth, the 2-dimensional coalescence of the islands induces an intrinsic tensile stress. Then, this process can control the in-plane stress: with the N-2 content increasing from 0 to 3 slm, the in-plane stress gradually changes from 1.5 GPa tensile stress to - 1.2GPa compressive stress. Especially, with the 0.5 slm N-2 + 2.5 slm H-2 mixture gas, the in-plane stress is only 0.1 GPa, which is close to the complete relaxation state. Under this condition, this sample has good crystal and optical qualities.


Journal of Physical Chemistry B | 2005

Simulation of water cluster assembly on a graphite surface.

C. S. Lin; R. Q. Zhang; Shuit-Tong Lee; Marcus Elstner; Th. Frauenheim; Li-Jun Wan


Journal of Physical Chemistry C | 2007

Geometric and Electronic Structures of Carbon Nanotubes Adsorbed with Flavin Adenine Dinucleotide: A Theoretical Study

C. S. Lin; R. Q. Zhang; Thomas A. Niehaus; Th. Frauenheim


Physical Review B | 2009

Hydrogen and oxygen adsorption on ZnO nanowires: A first-principles study

Hu Xu; Wei Fan; A. L. Rosa; R. Q. Zhang; Th. Frauenheim


Journal of Physical Chemistry C | 2007

Excited State Properties of Allylamine-Capped Silicon Quantum Dots

Xun-Li Wang; R. Q. Zhang; Thomas A. Niehaus; Th. Frauenheim


Journal of Physical Chemistry C | 2010

Theoretical Exploration of the Structural, Electronic, and Magnetic Properties of ZnO Nanotubes with Vacancies, Antisites, and Nitrogen Substitutional Defects

D. Q. Fang; A. L. Rosa; R. Q. Zhang; Th. Frauenheim


Physical Review B | 2005

Diamond nucleation by energetic pure carbon bombardment

Yuan Yao; Mengzhou Liao; Th. Köhler; Th. Frauenheim; R. Q. Zhang; Z. G. Wang; Y. Lifshitz; Shuit-Tong Lee

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Hu Xu

South University of Science and Technology of China

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Chun-Sing Lee

City University of Hong Kong

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Cong Guo

Chinese Academy of Sciences

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Huaixin Yang

Chinese Academy of Sciences

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Huanfang Tian

Chinese Academy of Sciences

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