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| 1 | Cenozoic sedimentary records and geochronological constraints of differential uplift of the Qinghai-Tibet Plateau显示文摘Geological mapping data (1:250000) in the Qinghai-Tibet Plateau and its adjacent regions reveal the sediment sequences, distribution and tectonic evolution of the 92 Tertiary remnant basins. Southern Tibet and the Yecheng area in Xinjiang, located at southern and northwestern margins of the Qinghai-Tibet Plateau, respectively, were parts of the Neo-Tethys remnant sea in the Paleogene. In southern Tibet, both the subabyssal and abyssal sequences occur at the Gyangze, Saga, Guoyala, and Sangmai areas. The deep-water facies successions outcrop in the west, whereas the shallow-water facies sequences in the east, indicating the east to the west retreat of the Neo-Tethys Ocean. The retreat of the Neo-Tethys Ocean in the east was contributed to the earlier tectonic uplift of the eastern Qinghai-Tibet Plateau. The uplift process of the Plateau from the Late Cretaceous to Pliocene is described as follows: During the Late Cretaceous, tectonic uplift of the Qinghai-Tibet Plateau occurred in the northeastern part and the configuration of the Qinghai-Tibet Plateau was characterized by rise in the northeast and depression in the west. In the Paleocene-Eocene interval, the Tengchong-Baingoin and Kuyake-Golmud areas experienced local tectonic uplifting, the West Kunlun uplift zone broadened easterly, the Qilian uplift zone broadened southerly, and the Songpan-Garzê uplift zone shrank easterly. The Oligocene configuration of the Qinghai-Tibet Plateau was characterized by mountain chains rising along its margins and sedimentary basins in the central part because of tectonic uplifts of the Gangdisê and the Himalaya blocks. Meanwhile, the Kunlun-Altyn-Qilian uplift zones have also broadened southerly and northerly. In contrast, the great uplift zones of the Gangdisê, the Himalaya, the Karakorum, and the Kunlun blocks characterize the paleogeographic contours of the Qinghai-Tibet Plateau during the Miocene-Pliocene. Additionally, the thermochronological data on tectonic uplift events in southern Tibet, West Kunlun Mountains, Altyn Tagh, eastern Tibet, and western Sichuan all suggest that the most intense deformation occurred at 13-8 Ma and since 5 Ma, respectively, corresponding to two great uplift periods in Neogene. As a result, turnover of paleogeographic configuration of the Qinghai-Tibet Plateau occurred during the Neogene, experiencing a change from high contours in the east in the pre-Oligocene to high contours in the west at the end-Pliocene. The uplift of the Qinghai-Tibet Plateau during the Cenozoic was episodic, and the uplifts of various blocks within the Plateau were spatially and chronologically different. | ZHANG KeXin WANG GuoCan CAO Kai LIU Chao XIANG ShuYuan HONG HanLie KOU XiaoHu XU YaDong CHEN FenNing MENG YanNing CHEN RuiMing | 2008 | Science China Earth Sciences2008，51，11： | 31 |
| 2 | AXISYMMETRIC CONTACT PROBLEM OF CUBIC QUASICRYSTALLINE MATERIALS显示文摘The axisymmetric elasticity theory of cubic quasierystal was developed in Ref.[1].The axi-symmetric elasticity problem of cubic quasicrystal is reduced to a single higher-order partial differentialequation by introducing a displacement function,based on which,the exact analytic solutions for the elasticfield of an axisymmetric contact problem of cubic quasicrystalline materials are obtained for universal contactstress or contact displacement.The result shows that if the contact stress has order-1/2 singularity on theedge of the contact domain,the contact displacement is a constant in the contact domain.Conversely,if thecontact displacement is a constant,the contact stress must have order-1/2 singularity on the edge of thecontact domain. | Zhou Wangmin Fan Tianyou Yin Shuyuan | 2002 | Acta Mechanica Solida Sinica2002，15，1： | 14 |
| 3 | Change of asphaltene and resin properties after catalytic aquathermolysis显示文摘Resin and asphaltene were separated from Liaohe heavy oil. Catalytic aquathermolysis of asphaltene and resin was investigated by using water soluble catalysts (NiSO4 and FeSO4) and oil soluble catalysts (nickel naphthenate and iron naphthenate). Before and after aquathermolysis, the properties of the resin and asphaltene was compared by means of ultimate analysis, vapor pressure osmometer (VPO) average molecular weight, X-ray diffraction (XRD), 13C and 1H nuclear magnetic resonance (NMR). The conversion sequence was as follows: No-catalyst | Yi Yufeng Li Shuyuan Ding Fuchen Yu Hang | 2009 | Petroleum Science2009，6，2： | 12 |
| 4 | Estimation of herbage intake and digestibility of grazing sheep in Zhenglan Banner of Inner Mongolia by using n-alkanes显示文摘To reveal the seasonal dynamics of herbage intake, diet composition and digestibility and clarify the relationship of those with herbage nutrient and botanical composition of grazing sheep in Zhenglan Banner of Inner Mongolia, the n-alkane technique was used to test in sheep grazed during June, August and December. The results showed that the sheep mainly ate Fringed sagebrush, Stipa krylovii and Carex in proportions of 33.5,17.9 and 21.2%, respectively, in spring. In summer, the sheep consumed cleistogenes,Potentilla tanacetifolia, Thyme, etc; the intake of Fringed sagebrush, Carex and Stipa declined. In winter,Fringed sagebrush accounted for 50.1% of herbage intake, and the intakes of Cleistogenes and Stipa krylovii increased to 15.3 and 18.4%, respectively. Herbage intake by the sheep in spring was 1.8 kg DM/d, and digestibility was 71.4%. Herbage intake and digestibility decreased slightly to 1.7 kg DM/d and 68.4%during the summer, respectively and decreased significantly to 1.2 kg DM/d and 36.4% in winter. There were significant correlations between diet composition and CP content in winter, diet composition and botanical composition in summer. A highly positive correlation between herbage intake and digestibility was observed in grazing sheep. | Changqing Li Alatengdalai Shuyuan Xue Atsushi Tajima Naoto Ishikawa | 2015 | Animal Nutrition2015，，4： | 9 |
| 5 | Aurora A orchestrates entosis by regulating a dynamic MCAK-TIP150 interaction显示文摘 | PengXia JinhuaZhou Xiaoyu Song BingWu XingLiu Di Li Shuyuan Zhang Zhikai Wang H uijuan Yu Tarsha Ward Jiancun Zhang Yinmei Li Xiaoning Wang YongChen Zhen Guo Xuebiao Yao | 2014 | Journal of Molecular Cell Biology2014，8，3： | 9 |
| 6 | Optimization of mechanical property, antibacterial property and corrosion resistance of Ti-Cu alloy for dental implant显示文摘Ti-Cu alloys with different Cu contents(3, 5 and 7 wt%) were fabricated and studied as novel antibacterial biomaterials for dental application. The Ti-Cu alloys were annealing treated at different temperatures(740℃, 830℃ and 910℃) in order to obtain three typical microstructures, β-Ti + Ti2Cu, β-Ti + transformed α-Ti, and transformed α-Ti. Mechanical, antibacterial and biocorrosion properties of Ti-Cu alloys with different microstructures were well analyzed by scanning electron microscopy(SEM),X-ray diffraction(XRD), transmission electron microscopy(TEM), tensile test, electrochemical test and antibacterial test. The results indicated that the Ti-Cu alloys with microstructure of β-Ti + Ti2 Cu showed the best ductility compared with other Ti-Cu alloys with microstructures of β-Ti + transformed α-Ti and complete transformed α-Ti, and meanwhile, increase of the Cu content significantly contributed to the decreased ductility due to the increasing amount of Ti2 Cu, which brought both solid solution strengthening and precipitation strengthening. Finally, the Ti-5 Cu alloy with microstructure of β-Ti + Ti2 Cu exhibited excellent ductility, antibacterial property and corrosion resistance, providing a great potential in clinical application for dental implants. | Jiewen Wang Shuyuan Zhang Ziqing Sun Hai Wang Ling Ren Ke Yang | 2019 | Journal of Materials Science & Technology2019，35，10： | 9 |
| 7 | Study of simulation experiments on the TSR system and its effect on the natural gas destruction显示文摘The TSR process may be one of the reasons to result in the natural gas destruction in deep carbonate reservoirs. The work on this field has been the subject of much research in recent years. In this paper, thermal simulation experiments on the reaction of CH4-CaSO4 were carried out using autoclave at high temperature and high pressure. The products were charac-terized by some advanced analytical methods. The thermodynamics and kinetics were discussed and the reaction mechanism was investigated tentatively. It is found that the reaction can pro-ceed spontaneously to produce H2S, H2O and CaCO3 as the main products at the temperature range of 550―700℃ . The activation energy and geological reaction rate calculated from the ki-netic model can be compared with those from previous work. The results obtained in this paper can provide important information on the explanation of geochemical depth limit for natural gas and on the exploration of gas reservoirs. | YUE Changtao LI Shuyuan DING Kangle ZHONG Ningning | 2005 | Science China Earth Sciences2005，48，8： | 8 |
| 8 | Dynamic-Change Laws of the Porosity and Permeability of Low-to Medium-Rank Coals under Heating and Pressurization Treatments in the Eastern Junggar Basin,China显示文摘Deep coalbed methane exists in high-temperature and high-pressure reservoirs. To elucidate the dynamic-change laws of the deep coal reservoir porosity and permeability characteristics in the process of coalbed methane production, based on three pieces of low-to medium-rank coal samples in the eastern Junggar Basin, Xinjiang, we analyse their mercury-injection pore structures. We measured the porosity and permeability of the coal samples at various temperatures and confining pressures by high-temperature and confining pressure testing. The results show that the porosity of a coal sample decreases exponentially with increasing effective stress. With increasing temperature, the initial porosity increases for two pieces of relatively low-rank coal samples. The increased rate of porosity decreases with increasing confining pressure. With increasing temperature, the initial porosity of a relatively high-rank coal sample decreases, and the rate of change of the porosity become faster. An exponential relationship exists between the porosity and permeability. With increasing coal rank, the initial porosity and permeability decrease. The change rate of the permeability decreases with increasing porosity. | Gang Wang Yong Qin Jian Shen Shuyuan Chen Beibei Han Xiaoting Zhou | 2018 | Journal of Earth Science2018，29，3： | 8 |
| 9 | 3-year Treatment of Tenofovir Alafenamide vs.Tenofovir Disoproxil Fumarate for Chronic HBV Infection in China显示文摘Background and Aims:Tenofovir alafenamide(TAF)has similar efficacy to tenofovir disoproxil fumarate(TDF)but with improved renal and bone safety in chronic hepatitis B patients studied outside of China.We report 3-year results from two phase 3 studies with TAF in China(Clinicaltrials.gov:NCT02836249 and NCT02836236).Methods:Chinese hepatitis B e antigen(HBeAg)-positive and-negative chronic hepatitis B patients with viremia and elevated alanine aminotransferase were randomized 2:1 to TAF or TDF treatment groups and treated in a double-blind fashion for 144 weeks(3 years).Efficacy responses were assessed by individual study while safety was assessed by a pooled analysis.Results:Of the 334 patients(180 HBeAg-positive and 154 HBeAg-negative)randomized and treated,baseline characteristics were similar between groups.The overall mean age was 38 years and 73%were male.The mean HBV DNA was 6.4 log10 IU/mL.The median alanine aminotransferase was 88 U/L,and 37%had a history of antiviral use.At week 144,the proportion with HBV DNA<29 IU/mL was similar among the two groups,with TAF at 83%vs.TDF at 79%,and TAF at 93%vs.TDF at 92%for the HBeAg-positive and-negative patients,respectively.In each study,higher proportions of TAF than TDF patients showed normalized alanine aminotransferase(via the American Association for the Study of Liver Diseases and the China criteria)and showed loss of HBsAg;meanwhile,the HBeAg seroconversion rates were similar.Treatment was well-tolerated among the TAF patients,who showed a smaller median decline in creatinine clearance(−0.4 vs.−3.2 mL/min;p=0.014)and less percentage change in bone mineral density vs.TDF at hip(−0.95%vs.−1.93%)and spine(+0.35%vs.−1.40%).Conclusions:In chronic hepatitis B patients from China,TAF treatment provided efficacy similar to TDF but with better renal and bone safety at 3 years. | Jinlin Hou Qin Ning Zhongping Duan You Chen Qing Xie Fu-Sheng Wang Lunli Zhang Shanming Wu Hong Tang Jun Li Feng Lin Yongfeng Yang Guozhong Gong John FFlaherty Anuj Gaggar Shuyuan Mo Cong Cheng Gregory Camus Chengwei Chen Yan Huang Jidong Jia Mingxiang Zhang GS-US-320-0110 and GS-US-320-0108 China Investigators | 2021 | Journal of Clinical and Translational Hepatology2021，9，3： | 7 |
| 10 | Possibility of the Application of the Ultra-long Electromagnetic Wave Remote Sensor to Marine Geological Exploration显示文摘The ultra-long electromagnetic wave remote sensing technique developed by Peking University is one of new future techniques, which can detect the submarine geological information from the depth of 20 to 10000 m below the surface by receiving natural ultra-long electromagnetic waves (n Hz to n 100 Hz). The new remote sensor is composed of three parts: a main instrument with a portable computer, an antenna with an amplifier and an external power.The new remote sensing technique is characterized by good stability and reproducibility at the same spot but at different times and high sensitivity and high signal-to-noise ratio, and can reveal geological and lithologic boundaries as well as strata and related mineral sources. Two years of marine geological experiments on this technique have indicated that it can solve many problems in marine geological exploration, e.g. the burial depths of sea-floor mud, Quaternary sediments and submarine structures. This technique can be applied to detecting the sea bed | HOU Guiting QIAN Xianglin WANG Shuyuan SUN Jing | 2000 | Acta Geologica Sinica(English Edition)2000，74，2： | 6 |
| 11 | Rough surface of copper-bearing titanium alloy with multifunctions of osteogenic ability and antibacterial activity显示文摘Implant-related infection and early bone integration are the main risk factors of implants for long-term service,to overcome these difficulties,SLA-TiCu surface was prepared by sandblasting and large-grits etching(SLA)treatment on a novel antibacterial titanium-copper alloy(TiCu),which is the most prevalent surface treatment with micro/submicron hierarchical structures to titanium-based implants.Effects of SLA-TiCu surface on the adhesion,proliferation,apoptosis and differentiation of MC3T3-E1 cells as well as the antibacterial activity against a common orthopedic pathogen(Staphylococcus aureus)were studied.Compared to the following surfaces:sandblasting and large-grits etched pure titanium(SLATi),mechanically ground pure titanium and TiCu alloy(M-Ti and M-TiCu),these results indicated that SLA-TiCu surface obviously enhanced the bone-related gene expressions(alkaline phosphates(ALP),collagen typeⅠ(COLⅠ),Runt-related transcription factor 2(RUN x 2),and osteopontin(OPN)).Moreover,SLA-TiCu surface could maintain a sustainable release of Cu2+ions and effectively inhibited the viability of bacteria.This study demonstrated that SLA-TiCu surface possessed multifunctional characteristics of improved osteogenic ability and antibacterial activity,making it promising as a novel implant material for hard tissue repairs such as orthopedics and dental implants. | Hui Liu Rui Liu Ihsan Ullah Shuyuan Zhang Ziqing Sun Ling Ren Ke Yang | 2020 | Journal of Materials Science & Technology2020，47，13： | 6 |
| 12 | The mechanism and kinetics of oil shale pyrolysis in the presence of water显示文摘The hydrous thermo-simulation experiments on oil shale sample from Liushuhe basin have been performed using autoclave.The mechanism and kinetics of oil shale pyrolysis were investigated.The formation mechanism of pyrolysates including retorting gas,oil and bitumen,were evaluated in the presence of saturated and unsaturated water,respectively.The results show that the physicochemical properties of water have greatly changed in high temperature and pressure.At the same time,water has three kinds of effect on the oil shale pyrolysis,including the protection of free radical,catalytic action and swelling.The pyrolysis temperature was carried out about 70C earlier,and the generated processing of hydrocarbon would be easier under the aqueous.The consecutive first order reaction model involving bitumen as an intermediate product was used in the data analysis in order to determine the pyrolysis kinetic parameters.It was found that the apparent activation energy of kerogen pyrolysis was lower than bitumen pyrolysis. | Yue Ma Shuyuan Li | 2018 | Carbon Resources Conversion2018，1，2： | 6 |
| 13 | Effect of CO_2 Gas on the Swelling and Tribological Behaviors of NBR Rubber in Water显示文摘The swelling and tribological behaviors of nitrile-butadience(NBR) rubbers with three acrylonitrile contents(N18,N26 and N41) in water with different CO_2 gas flows are investigated by immersion and wear experiments.The results show that the bubbles of CO_2 into water severely destroy the cross-linking network of rubber and form defects on the surface,such as cracks,holes and lamellar perks.These defects lead to an increase in the static and dynamic swelling increment.The dynamic swelling increment is almost three or four times larger than the static swelling increment.The hardness and wear resistance of rubbers in water with CO_2 gas remarkably decreases in contrast to that in water,and they gradually decrease with an increase in the gas flow in water.The bubbles of CO_2 decrease the steady frictional coefficient of rubber in water due to the presence of the gas in water lubricant film.The steady frictional coefficient in water with different CO_2 gas flow basically remains 0.1.N41 with high acrylonitrile content shows better swelling and wear resistances than N18 and N26 because of its dense molecular network. | Xiaoren Lv Shuyuan Song Huiming Wang Shijie Wang | 2015 | Journal of Materials Science & Technology2015，31，12： | 6 |
| 14 | Bimetallic nickel molybdate supported Pt catalyst for efficient removal of formaldehyde at low temperature显示文摘Efficient removal of formaldehyde from indoor environments is of significance for human health.In this work,a typical binary transition metal oxide that could provide various oxidation states,β-NiMoO4,was employed as a support to immobilize the active Pt component(Pt/NiMoO4)for catalytic formaldehyde elimination at low ambient temperature(15℃).The results showed that the hydrothermal preparation temperature and time had a noticeable impact on the morphology and catalytic activity of the samples.The catalyst prepared with hydrothermal temperature of 150℃for 4 hr(Pt-150-4)exhibited superior catalytic activity and stability mainly due to its distinctly porous structure,relative abundance of adsorbed surface hydroxyls/water,and high oxidation ability,which resulted from the interaction of Pt with Ni and Mo of the bimetallic NiMoO4 support.Our results might shed light on the rational design of multifunctional catalysts for removal of indoor air pollutants at low ambient temperature. | Gang Huang Zhaoxiong Yan Shuyuan Liu Tingting Luo Liang An Zhihua Xu | 2020 | Journal of Environmental Sciences2020，32，1： | 6 |
| 15 | Investigation of ZSM-5/MCM-41 Composite Molecular Sieve for Reducing Olefin Content of FCC Gasoline显示文摘ZSM-5/MCM-41 composite molecular sieve was prepared by the nano-assembling method.The ZSM-5 molecular sieve,the MCM-41 molecular sieve,the ZSM-5/MCM-41 mechanical mixture and the ZSM-5/MCM-41 composite molecular sieve were characterized by X-ray powder diffractometry,N2 adsorption isotherms,temperature programmed desorption of ammonia and scanning electron microscopy and their properties were analyzed.Using FCC gasoline as the feed,activities of different molecular sieves for reducing olefin content were investigated in a continuous high-pressure micro-reactor unit under the following conditions:a reaction temperature of 400℃,a reaction time of 2 h,a weight hourly space velocity of 3h-1,and a reaction pressure of 2.0 MPa.The results showed that the HMCM-41 molecular sieve had low reaction performance,and the HZSM-5 molecular sieve demonstrated high aromatization activity,while the ZSM-5/MCM- 41 composite molecular sieve exhibited a best olefin-reducing performance because of its high isomerization activity and moderate aromatization activity.With a largest olefin-reducmg capability and a reasonable distribution of products,the composite molecular sieve was more suitable for FCC gasoline upgrading compared to other three catalysts. | Ji Dekun~(1,2) Li Shuyuan~1 Ding Fuchen~2 Chi Yaoling~2 (1.Chemical Engineering School,China University of Petroleum(Beijing),Beijing 102249 2.Department of Chemical Engineering,Beijing Institute of Petrochemical Technology) | 2009 | China Petroleum Processing & Petrochemical Technology2009，11，4： | 5 |
| 16 | The modern change and evolution tendency of sand coast in the eastern area of Liaodong Gulf显示文摘The modern change and evolution tendency of sand coast in the eastern area of Liaodong GulfMiaoFengmin;BiZhaoqi;LiShuyuan;Xia... | Miao Fengmin Bi Zhaoqi Li Shuyuan Xiao Yuzhong Cong Peifu Zhuang Zhenye and Xu Weidong | 1995 | Acta Oceanologica Sinica1995，14，4： | 5 |
| 17 | Effects of Contact Resistance on Heat Transfer Behaviors of Fibrous Insulation显示文摘本文建立了辐射与传导相耦合的数值传热模型来预报热防护系统用纤维隔热材料的传热行为。利用实验测得的瞬态温度数据(热面最高达1000K),采用蒙特卡洛方法确定了修正后的辐射性质。最后将瞬态热响应的计算结果与实验结果进行了比较。结果表明:接触热阻的存在会显著影响试件的温度分布,对传热模型中忽略接触热阻的情况其平均绝对偏差为3.25%,而对无接触热阻存在的情况平均绝对偏差只有1.82%。 | Zhao Shuyuan Zhang Boming Du Shanyi | 2009 | Chinese Journal of Aeronautics2009，22，5： | 5 |
| 18 | Near-surface wind environment in the Yarlung Zangbo River basin,southern Tibetan Plateau显示文摘Aeolian processes have been studied extensively at low elevations,but have been relatively little studied at high elevations.Aeolian sediments are widely distributed in the Yarlung Zangbo River basin,southern Tibetan Plateau,which is characterized by low pressure and low temperature.Here,we comprehensively analyzed the wind regime using data since 1980 from 11 meteorological stations in the study area,and examined the interaction between the near-surface wind and aeolian environment.The wind environment exhibited significant spatial and temporal variation,and mean wind speed has generally decreased on both annual and seasonal bases since 1980,at an average of 0.181 m/(s•10a).This decrease resulted from the reduced contribution of maximum wind speed,and depended strongly on variations of the frequency of sand-driving winds.The drift potential and related parameters also showed obvious spatial and temporal variation,with similar driving forces for the wind environment.The strength of the wind regime affected the formation and development of the aeolian geomorphological pattern,but with variation caused by local topography and sediment sources.The drift potential and resultant drift direction were two key parameters,as they quantify the dynamic conditions and depositional orientation of the aeolian sediments.Wind affected the spatial variation in sediment grain size,but the source material and complex topographic effects on the near-surface wind were the underlying causes for the grain size distribution of aeolian sands.These results will support efforts to control aeolian desertification in the basin and improve our understanding of aeolian processes in high-elevation environments. | YANG Junhuai XIA Dunsheng WANG Shuyuan TIAN Weidong MA Xingyue CHEN Zixuan GAO Fuyuan LING Zhiyong DONG Zhibao | 2020 | Journal of Arid Land2020，12，6： | 5 |
| 19 | Sr-Nd-Pb Isotopic Compositions of the Neogene Eolian Deposits in the Xining Basin and Implications for Their Dust Sources显示文摘The Neogene eolian deposits in the Xining Basin are valuable archive for studying the evolution of the Asian monsoon system and geomorphic processes of Northwest China. The Neogene eolian deposits that paleomagnetically dated at about 14 Ma probably were sourced from the middle and west Qinghai-Tibetan Plateau(QTP) as indicated by elemental compositions and magnetic properties. This study provides the Sr-Nd-Pb isotopic ratios of different sediments(gravels from the river terraces, Neogene eolian deposits and Quaternary loess) in the Xining Basin. The results show that:(1) Sr-Nd isotopic compositions of terrace gravels are different from those of the Neogene and Quaternary eolian deposits, although the Nd isotope ratios of gravel on the 10 th terrace(T10) and eolian deposits are similar.(2) Pb isotopic compositions of river gravels are obviously different from the eolian deposits in the Xining Basin. However, Pb isotopic compositions of eolian deposits in the basin are similar to those of eolian deposits in the central Chinese Loess Plateau.(3) Sr-Nd-Pb isotope results indicate that the Neogene eolian deposits in the Xining Basin were probably sourced from remote areas outside of the basin by long-distance transportation. The Qaidam Basin is probably an important source area for the eolian deposits in the Xining Basin. | Fangming Zeng Meiyan Liang Shuzhen Peng Dongmei Yu Shuyuan Xiang | 2015 | Journal of Earth Science2015，26，5： | 4 |
| 20 | A first-principles study of the size-dependent electronic properties of SiC nanotubes显示文摘We investigate the structural and electronic properties of SiC nanotubes(NTs) with hexagonal cross sections by a first-principles calculation using plane-wave ultra-soft pseudo-potential technology based on the density-functional theory.Our results reveal that surface-layer C and Si atoms relax significantly upon decreasing the tube-wall thickness because of surface-size and quantum-size effects.We also find that all relaxed SiC NTs stay stably on the nanoscale because of an admixture of sp2 and sp3 hybridization between C and Si atoms and a strong covalent,and that the band gap tends to decrease with increasing tube-wall thickness.Our calculations further indicate that both C and Si atoms on the inner and outer surface of SiC NTs contribute to defect states at the top of the valence band and at the bottom of the conduction band.These results provide reference information for a thorough understanding of the properties of SiC nanostructures and also enable more precise monitoring and control of the growth of SiC nanostructures. | ZHANG WeiHu 1,2,3,ZHANG FuChun 3,ZHANG ZhiYong 4*,LU ShuYuan 5 & YANG YanNing 3 1 Xi’an Institute of Optics and Precision Mechanics,Chinese Academy of Sciences,Xi’an 710068,China 2 Graduate University of Chinese Academy of Sciences,Beijing 100049,China 3 College of Physics and Electronic Information,Yan’an University,Yan’an 716000,China 4 College of Information Science and Technology,Northwest University,Xi’an 710127,China 5 Department of Telecommunications,Xi’an Institute of Posts and Telecommunications,Xi’an 710121,China | 2010 | Science China(Physics,Mechanics & Astronomy)2010，53，7： | 4 |
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