共查询到19条相似文献,搜索用时 617 毫秒
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运用紫外光电子能谱(UPS)和低能电子衍射(LEED)技术,对银(110)表面上有机分子苝(perylene)的生长进行了研究.有机分子价带的4个特征峰分别位于费米能级以下3.5、4.8、6.4和8.5 eV处.当有机薄膜约为单分子层(厚度为0.3 nm)时, 苝在银(110)表面上形成C(6×2)的有序结构.角分辨紫外光电子能谱(ARUSP)的测量显示:在界面处的苝分子平面平行于衬底.苝在银(110)表面稳定性很高,随着对衬底加热,有机材料发生脱附,在140 ℃以下没有观察到分解现象. 相似文献
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首次报道了N-(2-溴乙基)咔唑和N-乙烯基咔唑的气相HeI紫外光电子能谱(UPS),借助于Gaussian94采用RHF/6-31G基组优化几何构型,并用RHF/6-31G^*基组计算分子轨道及能级.在对咔唑和N-烷基咔唑系列分子UPS电离能变化规律研究的基础上,对这2个分子的UPS谱带给予指认,并讨论其电子结构.结果表明N-(2-溴乙基)咔唑的UPS谱与N-烷基咔唑的不同之处是在10.295,10.540eV处出现2个Br原子的孤对轨道;N-乙烯基咔唑的UPS谱带与咔唑的相比,电离能变化的特殊性说明乙烯基与咔唑环共平面。 相似文献
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首次报道了N-(2-澳乙基)咔唑和N-乙烯基咏唑的气相Hel紫外光电子能谱(UPS),借助于Gaussian 94采用RHF/6-3lG基组优化几何构型,并用RHF/6-31G基组计算分子轨道及能级.在对咔唑和N-烷基咔唑系列分子UPS电离能变化规律研究的基础上,对这2个分子的UPS谱带给予指认,并讨论其电子结构.结果表明N-(2-溴乙基)咔唑的UPS谱与N-烷基咔唑的不同之处是在10.295,10.540Ve处出现2个Br原子的孤对轨道;N-乙烯基咔唑的UPS谱带与咔唑的相比,电离能变化的特殊性说明乙烯基与咔唑环共平面. 相似文献
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COT-H在金属Ru表面上沉积的光电子能谱分析 总被引:1,自引:0,他引:1
采用紫外光电子能谱(UPS),分析了不对称四苯基四苯乙炔基环辛四烯(COT H)有机发光材料与金属之间的界面电子结构,研究了在金属/COT H界面上的逸出功变化.UPS谱中位于费米能级以下5.6、7.9和10.2 eV处的三个谱峰分别来自于COT H材料中苯环的πCC、σCC和σCH轨道.位于3.8 eV处的谱峰反映了八个苯环聚合后具有π轨道特性的C-C键.从UPS谱图中可以看到, COT H材料的最高占有态(HOS:highest occupied state)位于费米能级以下1.8 eV处.COT H材料的逸出功只有3.2 eV,比清洁Ru表面的逸出功小1.0 eV.角分辨紫外光电子能谱(ARUPS)的结果表明,组成COT H分子应该近似平行于衬底表面. 相似文献
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本文详细报道了SiBr~4的紫外光电子能谱(PES)及该化合物不同离子态(X^2T~2,A^2T~1,B^2E,C^2T~2等)的电子结构和性质。实验测得对应基态离子态的绝热电离能I~a(X^2T~2←X^1A~1)=10.532eV,X^2T~2离子态的振动频率为(450±30)cm^-^1。结合理论计算对紫外光电子能谱进行了指认和分析,结果表明X^2T~2,A~2T~1两个离子态存在明显的自旋-轨道耦合作用,自旋-轨道耦合导致的分裂分别为:0.27ev和0.53eV。此外,不同计算方法比较显示外层格林函数方法计算得到电离能与实验吻合很好。 相似文献
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由于拥有―C(O)S―和―NCO基团, FC(O)SNCO的分子和电子结构是非常有趣的. 利用FC(O)SCl和AgNCO制备了FC(O)SNCO,并利用HeI光电子能谱(PES)、光电离质谱(PIMS)以及理论计算研究了其分子和电子结构. 通过将实验、理论计算以及自然键轨道(NBO)分析结合起来, 获得了FC(O)SNCO的最稳定分子构型. 利用外壳层格林函数(OVGF)方法以及与相似化合物的比较, 对其光电子能谱进行了指认. 理论计算表明,对于中性分子最稳定的构型为syn-syn非平面构型, 而电离后的离子最稳定构型为syn-syn平面构型. 实验结果表明, 第一电离能来自于S的孤对电子轨道, 为10.33 eV. 第二至第六电离能分别为12.03、13.23、13.77、14.78、15.99 eV, 并对这些电离能进行了指认. 在光电离质谱中产生了六个质谱峰, 分别为SN+、FC(O)+、SNCO+、FC(O)SN+、C(O)SNCO+、FC(O)SNCO+·, 其中FC(O)SNCO+·的峰是最强峰. 结合HeI光电子能谱和理论计算, 对PIMS进行了分析,并研究了可能的电离和解离过程并对其进行了讨论. 相似文献
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The adsorption of pyridine on a clean Ag(110) surface was characterized with ultraviolet photoemission spectroscopy, flash desorption and Auger electron spectroscopy. Pyridine condenses on the silver surface below 190 K and rapidly forms multiple layers. At temperatures above 235 K pyridine is present in submonolayer concentrations. At 275 K pyridine is chemisorbed on Ag(110). 相似文献
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The co-adsorption of H2 and CO on a Cu-Ni (110) surface was studied by thermal desorption spectroscopy (TDS) and ultraviolet photoemission spectroscopy (UPS). Strong interactions between adsorbed CO and hydrogen observed in the CO desorption spectrum and CO valence emissions were attributed to a blockage of certain CO adsorption sites by hydrogen. 相似文献
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Dou W Li N Guan D Song F Huang H Zhang H Li H He P Bao S Chen Q Zhou W 《The Journal of chemical physics》2007,127(22):224709
The electronic structure of tetracene on Cu (110) surface has been studied by using ultraviolet photoemission spectroscopy (UPS). The emission features from the organic molecule are located from 1 to 10 eV below the Fermi level, and they shift in binding energy with increasing the coverage of the organic material. For the surface with multilayer of tetracene, six well-resolved features were found at 1.90, 3.40, 4.70, 5.95, 6.95, and 9.15 eV below the Fermi level, respectively. On the surface with a lower coverage of tetracene, angle-resolved UPS measurements suggest that the molecular plane is parallel to the substrate. Density functional theory calculation confirms the flat-lying adsorption mode and shows that the tetracene molecule prefers to be adsorbed on the long bridge site with its long axis in the [110] azimuth. 相似文献
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Honying M Han H Qiao C Richardson NV Yue W Jianhua Z Haiyang L Pimo H Shining B 《The Journal of chemical physics》2004,121(14):6972-6977
The structure of perylene adsorbed on Ru(0001) surface has been studied by ultraviolet photoemission spectroscopy (UPS) and low-energy electron diffraction. An ordered p(4x4) structure is observed from a monolayer (about 4 A thickness) of the perylene on Ru(0001) surface. UPS measurements show the molecular features, from the perylene multiplayer, between 2 and 10 eV below the Fermi level. Angle-resolved ultraviolet photoemission spectroscopy measurements suggest that the perylene molecular plane is parallel to the substrate. Temperature dependent UPS measurements show that the perylene multilayer is stable on Ru(0001) surface up to 125 degrees C. The desorption of the multilayer and the decomposition of the monolayer are observed above 125 degrees C. 相似文献
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Zhi-qiang Wang Qun-qing Hao Xin-chun Mao Chuan-yao Zhou Zhi-bo Ma Ze-feng Ren Dong-xu Dai Xue-ming Yang 《化学物理学报(中文版)》2015,28(2):123-127
The electronic structure of methanol/TiO2(110) interface has been studied by photoemission spectroscopy. The pronounced resonance which appears at 5.5 eV above the Fermi level in two-photon photoemission spectroscopy (2PPE) is associated with the photocatalyzed dissociation of methanol at vefold coordinated Ti sites (Ti5c) on TiO2(110) surface [Chemical Science 1, 575 (2010)]. To check whether this resonance signal arises from initial or intermediate states, photon energy dependent 2PPE and comparison between one-photon photoemission spectroscopy and 2PPE have been performed. Both results consistently suggest the resonance signal originates from the initially unoccupied intermediate states, i.e., excited states. Dispersion measurements suggest the excited state is localized. Time-resolved studies show the lifetime of the excited state is 24 fs. This work presents comprehensive characterization of the excited states on methanol/TiO2(110) interface, and provides elaborate experimental data for the development of theoretical methods in reproducing the excited states on TiO2 surfaces and interfaces. 相似文献
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Holger Hintz Heiko Peisert Dr. Umut Aygül Florian Latteyer Indro Biswas Peter Nagel Dr. Michael Merz Dr. Stefan Schuppler Dr. Dietrich Breusov Sybille Allard Dr. Ullrich Scherf Prof. Thomas Chassé Prof. 《Chemphyschem》2010,11(1):269-275
We study the electronic structure of 4,7‐bis(5‐methylthiophen‐2‐yl)benzo[c][1,2,5]thiadiazole (MTBT) and its interface properties with gold using X‐ray photoemission spectroscopy (XPS), valence‐band ultraviolet photoemission spectroscopy (UPS), X‐ray absorption spectroscopy (XAS), as well as resonant photoemission (ResPES). MTBT can be regarded as a model molecule for PCPDTBT, a promising candidate for efficient bulk heterojunction solar cells. Almost no contribution of sulfur and only a weak contribution of nitrogen to the HOMO level is found. At the interface with gold, a strong chemical interaction between the sulfur of the benzothiadiazole and gold occurs, which may have consequences for interface properties in devices. 相似文献
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Summary The corrosion of Ag(100), Ag(110) and Ag(111) single crystal surfaces by chlorine has been investigated at sample temperatures T = 90 K. After exposures to typically 30 to 50 l Cl2 in all three cases one and the same disordered corrosion product AgCl is observed covered by condensed molecular Cl2. Obviously, the underlying corrosion mechanism is not face-specific and may be generalized to arbitrary Ag surfaces, including polycrystalline films. It is demonstrated that ultraviolet photoemission spectroscopy is a unique tool for identifying the reaction products of halogenation processes and for elucidating elementary steps of the underlying corrosion mechanism.
UV-Photoemissionsstudien zur chlorinduzierten Korrosion von Silberoberflächen相似文献
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Li SC Losovyj Y Diebold U 《Langmuir : the ACS journal of surfaces and colloids》2011,27(14):8600-8604
The adsorption of catechol (1,2-benzendiol) on the anatase TiO(2)(101) surface was studied with synchrotron-based ultraviolet photoemission spectroscopy (UPS), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). Catechol adsorbs with a unity sticking coefficient and the phenyl ring intact. STM reveals preferred nucleation at step edges and subsurface point defects, followed by 1D growth and the formation of a 2 × 1 superstructure at full coverage. A gap state of ~1 eV above the valence band maximum is observed for dosages in excess of ~0.4 Langmuir, but such a state is absent for lower coverages. The formation of the band gap states thus correlates with the adsorption at regular lattice sites and the onset of self-assembled superstructures. 相似文献