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The structural evolution in amorphous silicon and germanium thin films has been investigated by high-resolution transmission electron microscopy (HRTEM) in conjunction with autocorrelation function (ACF) analysis. The results established that the structure of as-deposited semiconductor films is of a high density of nanocrystallites embedded in the amorphous matrix. In addition, from ACF analysis, the structure of a-Ge is more ordered than that of a-Si. The density of embedded nanocrystallites in amorphous films was found to diminish with annealing temperature first, then to increase. The conclusions also corroborate well with the results of diminished medium-range order in annealed amorphous films determined previously by a variable coherence microscopy method. 相似文献
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Cho S Jang JW Jung A Lee SH Lee J Lee JS Lee KH 《Langmuir : the ACS journal of surfaces and colloids》2011,27(1):371-378
We report a method for synthesizing zinc citrate spheres at a low temperature (90 °C) under normal atmospheric pressure. The spherical structures were amorphous and had an average diameter of ~1.7 μm. The amorphous zinc citrate spheres could be converted into crystalline ZnO nanostructures in aqueous solutions by heating at 90 °C for 1 h. By local dissolution of the zinc citrate spheres, nucleation and growth of ZnO occurred on the surfaces of the amorphous zinc citrate spheres. The morphologies and exposed crystal faces of the crystalline ZnO nanostructures (structure I: oblate spheroid; structure II: prolate spheroid; structure III: hexagonal disk; structure IV: sphere) could be controlled simply by varying the solution composition (solutions I, II, III, or IV) in which the as-prepared amorphous zinc citrate spheres were converted. The concentration of citrate anions and solution pH played a decisive role in determining the morphologies and exposed crystal faces of the crystalline ZnO nanostructures. On the basis of experimental results, we propose a plausible mechanism for the conversion of amorphous zinc citrate spheres into the variety of observed ZnO structures. 相似文献
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钨含量对Ni-W合金镀层结构的影响 总被引:1,自引:0,他引:1
对于用电镀方法获得的非晶态合金镀层,普遍认为合金元素的加入破坏了原基体金属晶格的规则排列,形成非晶.而且只有合金镀层的组成达到临界限度时,才能非晶化,镀层的合金组成是其能否形成非晶态的决定性因素[1].但镀层的合金组成与镀层结构的关系未见详细报道.本文用X射线衍射法和扫描电镜对NiW镀层的结构进行了初步探讨.所用仪器:日本理学D/maxRB型X射线衍射仪(CuKα靶,λ=0-15418nm,管流20mA,管压25kV,扫速2°/min);日本EDAX9100型扫描电镜.基础镀液:Na2WO… 相似文献
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Karol Kulasinski Sinan Keten Sergey V. Churakov Dominique Derome Jan Carmeliet 《Cellulose (London, England)》2014,21(3):1103-1116
The quintessential form of cellulose in wood consists of microfibrils that have high aspect ratio crystalline domains embedded within an amorphous cellulose domain. In this study, we apply united-atom molecular dynamics simulations to quantify changes in different morphologies of cellulose. We compare the structure of crystalline cellulose with paracrystalline and amorphous phases that are both obtained by high temperature equilibration followed by quenching at room temperature. Our study reveals that the paracrystalline phase may be an intermediate, kinetically arrested phase formed upon amorphisation of crystalline cellulose. The quenched structures yield isotropic amorphous polymer domains consistent with experimental results, thereby validating a new computational protocol for achieving amorphous cellulose structure. The non-crystalline cellulose compared to crystalline structure is characterized by a dramatic decrease in elastic modulus, thermal expansion coefficient, bond energies, and number of hydrogen bonds. Analysis of the lattice parameters shows that Iβ cellulose undergoes a phase transition into high-temperature phase in the range of 450–550 K. The mechanisms of the phase transition elucidated here present an atomistic view of the temperature dependent dynamic structure and mechanical properties of cellulose. The paracrystalline state of cellulose exhibits intermediate mechanical properties, between crystalline and amorphous phases, that can be assigned to the physical properties of the interphase regions between crystalline and amorphous cellulose in wood microfibrils. Our results suggest an atomistic structural view of amorphous cellulose which is consistent with experimental data available up to date and provide a basis for future multi-scale models for wood microfibrils and all-cellulose nanocomposites. 相似文献
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Ling Huang Xiao-Mei Zheng Yun-Shi Wu Lian-Jie Xue Fu-Sheng Ke Guo-Zheng Wei Shi-Gang Sun 《Electrochemistry communications》2009,11(3):585-588
The three-dimensional porous Fe–Sb–P amorphous alloy electrodes were prepared by electroplating on porous copper current collector. The structure and electrochemical performance of the electroplated Fe–Sb–P amorphous alloy electrodes have been investigated in detail. XRD results showed that the as-deposited Fe–Sb–P alloy electrode exhibits an amorphous nature. Electrochemical tests indicated that at the 50th cycle, the Fe–Sb–P amorphous alloy electrodes can deliver a discharge capacity of 448 mAh g?1. The porous and amorphous structure of electrode of Fe–Sb–P alloy was beneficial in relaxing the volume expansion during cycling, which improved the cycle ability of Fe–Sb–P alloy electrode. 相似文献
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V. A. Tarala B. M. Sinel’nikov 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2012,86(4):658-663
The nucleation and growth processes of amorphous and crystalline films of diamond-like materials deposited on the (100) planes
of monocrystals with a diamond structure of diamond are modeled. The mechanisms of the formation of monolayers are analyzed
from the results of calculating the potential energies of carbon clusters by means of modern semiempirical quantum chemical
methods of computer chemistry. The nucleation and growth of an epitaxial film is considered as a replication process, and
the deposition of amorphous films is described from the viewpoint of modifying the surface superstructure. Equations establishing
the relationship between the structure of amorphous and crystalline films and conditions of the synthesis are obtained as
a result of the performed studies. 相似文献
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改性Ni-B合金的制备及其催化糠醛加氢性能的研究 总被引:2,自引:0,他引:2
非晶态合金是一类介于晶态和无定形物质之间的特殊材料,其组成元素之间以金属键相连并在几个晶格常数范围内保持短程有序而长程无序,这种独特结构使其具有优良的催化性能,并大多被用于加氢反应例如,苯加氢制环己烷[1,2],硝基苯加氢制苯胺[3,4],环戊二烯选择加氢[5],腈类加氢[6, 相似文献
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用原位红外光谱法研究NiB和NiP非晶态合金的还原和苯加氢反应过程 总被引:3,自引:0,他引:3
用化学还原法制备了NiB和NiP非晶态合金催化剂,并用XRD,DSC,SEM和TEM鉴定了样品的非晶性,用ICP测定了样品的组成.在脉冲微反-色谱装置上考察了这两种催化剂催化苯加氢反应的活性.采用在线漫反射傅里叶变换红外光谱研究了这两种催化剂的还原及苯加氢反应过程.结果表明,所制备的NiB和NiP合金均为非晶态,且都是纳米尺度.NiB的粒度要比NiP小,晶化温度也比NiP低,表明Ni与B之间同Ni与P之间的相互作用不同.对苯加氢反应,NiB非晶态合金具有更大的优势,原位红外光谱结果证实催化剂的活性中心与还原态镍有关. 相似文献
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超细Pd—B/SiO2非晶态合金加氢反应的催化活性 总被引:8,自引:1,他引:7
采用浸渍法并通过KBH4还原制备超细Pd-B/SiO2非晶态合金催化剂,以硝基苯加氢生成苯胺为目标反应,考察了上述催化剂的活性和选择性及热稳定性,并与晶态Pd-B/SiO2和Pd/SiO2催化剂及非负载型Pd-B非晶态合金催化剂进行了比较。 相似文献
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以钛酸正丁醇和乙二醇为原料,采用溶剂热法合成了钛乙二醇盐(TG)前躯体,在高压汞灯照射下制备出无定形TiO2。利用X射线衍射(XRD)、扫描电镜(SEM)和透射电镜(TEM)、紫外-可见吸收光谱(UV-Vis)、表面光电压谱(SPS)、N2吸附-脱附对所得材料进行了结构和性能的表征。借助X射线吸收精细结构(XAFS)对无定形TiO2的形成机制进行了分析,并通过硝基苯的还原反应考察了材料的光催化性能。结果表明:在紫外光驱动无定形TiO2的形成过程中,中心元素Ti4+的配位环境发生变化,由八面体结构转变为四面体结构;由于特殊的孔道结构使得多孔无定形TiO2显示出较好的光催化活性。 相似文献
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采用搅拌球磨机对木薯淀粉进行机械活化,以活化60min的木薯淀粉为原料,CuSO4为催化剂,H2O2为氧化剂干法制备氧化淀粉。利用红外光谱、扫描电子显微镜、X-射线衍射等手段对产物的结构进行表征分析,并与原淀粉的氧化产物进行比较。结果表明,机械活化对木薯淀粉的氧化反应有显著的影响。原木薯淀粉的氧化反应主要发生在淀粉颗粒的表面及无定形区,部分发生在结晶区,产物是无定形及结晶状态的结构;活化淀粉的氧化反应在淀粉团粒表面及内部均匀进行,产物是无定形的聚集状态结构。并就机械活化对淀粉氧化的强化机理进行了探讨。 相似文献
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Molecular dynamics simulation has been performed for studying the relation between amorphous structure of polymers and penetrant diffusion. The self-diffusion coefficients of O2 and He in various polymer models, which differ from each other in view of the amorphous structure, were calculated above their glass transition temperatures. The amorphous structure was characterized by considering the percolation of the unoccupied volume. A good correlation was found between the self-diffusion coefficients and the number of clusters in the unoccupied volume at the critical point of the percolation. Based on the simulated cluster size distribution at the critical point, we defined a parameter into which effects of both the amorphous structure and the penetrant size are well incorporated. It was confirmed that the penetrant diffusion is intimately associated with the amorphous structure of polymers. 相似文献
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We report results of molecular dynamics simulations of amorphous ice for pressures up to 22.5 kbar. The high-density amorphous ice (HDA) as prepared by pressure-induced amorphization of I(h) ice at T=80 K is annealed to T=170 K at various pressures to allow for relaxation. Upon increase of pressure, relaxed amorphous ice undergoes a pronounced change of structure, ranging from the low-density amorphous ice at p=0, through a continuum of HDA states to the limiting very high-density amorphous ice (VHDA) regime above 10 kbar. The main part of the overall structural change takes place within the HDA megabasin, which includes a variety of structures with quite different local and medium-range order as well as network topology and spans a broad range of densities. The VHDA represents the limit to densification by adapting the hydrogen-bonded network topology, without creating interpenetrating networks. The connection between structure and metastability of various forms upon decompression and heating is studied and discussed. We also discuss the analogy with amorphous and crystalline silica. Finally, some conclusions concerning the relation between amorphous ice and supercooled water are drawn. 相似文献
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R. Rastogi W. P. Vellinga S. Rastogi C. Schick H. E. H. Meijer 《Journal of polymer science. Part A, Polymer chemistry》2004,42(11):2092-2106
The relation between the mechanical properties and the microstructure of PET has been investigated, combining results from WAXS, SAXS, FTIR, DSC, and uniaxial compression tests. The rigid amorphous fraction in the PET was explicitly taken into consideration in interpreting structure–property relations. WAXS results prove that glass crystallized PET with a high volume fraction of rigid amorphous material and small crystal size, on uniaxial compression shows a considerable loss in crystalline fraction. FTIR results in combination with these WAXS results suggest that during this loss in crystallinity, short-range conformational order is retained, while long-range structural order is lost. At the same time, material with small crystals and a high amount of rigid amorphous material was found to show unexpectedly low yield stress. It is concluded that in the interpretation of these phenomena it is necessary to take the three-phase structure of PET, including the rigid amorphous fraction into account. This is expected to hold for other semicrystalline polymers, where a rigid amorphous fraction is prominent, such as PHB, PBT, PEN, PEEK, etc. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 2092–2106, 2004 相似文献
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采用差热扫描分析、红外光谱、固体核磁、小角X光散射等方法研究了聚(β-羟基丁酸酯-co-β-羟基戊酸酯(P(HB-co-HV))/聚(对-羟基苯乙烯)(简称PVPh)共混物的相容性和形态。结果表明两组分间形成较强的分子间氢键,形成完全相容的共混体系。固体核磁结果表明P(HB-co-HV)/PVPh(50/50)在3.4nm尺寸上是完全均相的。小角X光散射结果表明,在等温结晶的共混物中无定形的PVPh分子分散在P(HB-co-HV)片晶之间与非晶的P(HB-co-HV)分子形成非晶区,从而使非晶区加宽,长周期增加。 相似文献
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应用单辊甩带法制备非晶态Fe78Si13B9和Fe73.5Si13.5B9Nb3Cu1薄带,并以非晶晶化退火法制备出纳米晶Fe73.5Si13.5B9Nb3Cu1薄带.利用X射线衍射(XRD)仪和示差扫描量热计(DSC)对该非晶薄带的非晶特性及其晶化过程进行了研究.并用电化学极化曲线的方法和电化学阻抗技术研究了非晶态Fe78Si13B9和纳米晶Fe73.5Si13.5B9Nb3Cu1合金在1mol/LNaOH溶液里的电化学腐蚀行为,用SEM对极化测试后的试样形貌进行了观察;同时还研究了不同的热处理温度对材料结构及在1mol/LNaOH溶液里耐腐蚀性能的影响.结果表明,该非晶薄带的晶化过程分为两步;纳米晶比非晶合金的耐腐蚀性要好;且随着热处理温度的升高,非晶和纳米晶的耐腐蚀性能都得到提高. 相似文献