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1.
五氯苯酚在赤铁矿表面吸附的红外光谱研究   总被引:2,自引:0,他引:2  
由静态实验得到了五氯苯酚在赤铁矿表面吸附的pH等温线,最大吸附量发生在pH值6.0处,赤铁矿等电点pH值8.5处的吸附量为最大吸附量的31%.通过FTIR分析了赤铁矿吸附前后的变化,研究了吸附时五氯苯酚、赤铁矿存在形态和比例,结果表明:(1)a-Fe2O3 565 cm-1处特征峰吸附前后未发生改变,吸附发生在赤铁矿表面.(2)pH 6.0时,a-Fe2 O3表面OH与水形成的氢键产生的伸缩振动峰3 438 cm-1位移到了3 417 cm-1,1 643 cm-1表面的H-O-H+的弯曲振动峰由于络合反应发生明显的减弱,1 050~1 100 cm-1处的Fe-OH键峰位移到了950 cm-1且强度增加.五氯苯酚中的1 215 cm-1的C-O键伸缩振动峰位移到1 122cm-1,两者之间作用以静电吸附为主.(3)pH 8.5时,a-Fe2 O3表面OH与水形成的氢键产生的伸缩振动峰3 438 cm-1位移到了3 428 cm-1,1 643 cm-1处弯曲振动峰由于氢键反应发生明显的减弱,1 050~1 100 cm-1处的H-O-H+的弯曲振动峰位移到了947 cm-1且强度明显增加,两者之间主要是氢键作用.  相似文献   

2.
应用红外光谱法,研究了不同pH值和Cu2+浓度条件下,合成赤铁矿和三羟铝石吸附Cu2+后表面羟基结构及其特征吸收峰的变化。结果表明:(1)随Cu2+浓度增加,赤铁矿表面H—O—H和OH的变形振动参与了吸附反应,Cu2+强烈地缔结在Fe—O上,形成了Fe—O—(Cu)结构。(2)酸性条件下,H+破坏了赤铁矿表面的O—H结构,NO3-促使弱峰1 131 cm-1的产生。随pH值增大,赤铁矿表面OH-逐渐由伸缩振动转变为变形振动,Fe—OH和Fe3+—O2-结构不断发生改变。(3)三羟铝石对Cu2+的吸附发生在高波位,随Cu2+浓度增大,其表面游离羟基的O—H弯曲振动、水分子的OH-伸缩振动和H—O—H弯曲振动均参与了吸附反应,Al—O基中的Al3+渐被Cu2+取代从而加强了较低波位的振动强度。(4)随pH值增加,三羟铝石Al—OH的弯曲振动和Al—O的伸缩振动逐渐发生着改变,表明吸附Cu2+后,在其表面形成了AlOCu+与AlOCuOH结构。  相似文献   

3.
茶树叶与根表面的XPS表征   总被引:3,自引:0,他引:3  
利用X射线光电子能谱(XPS)研究了茶树叶与根的表面化学组成与结构.结果表明,茶树表面主要由C,O,N和Al等四种元素组成,在茶树叶远轴面还有少量的P和F.通过查阅标准图谱数据库、参照木材表面XPS分析结果,对茶树表面测得的Cls结合能采用曲线拟合与分峰,得到三种形态:结合能为285eV的是C1,来自C-C或C-H,代表角质、蜡质等脂类化合物;C2的结合能在286.35 eV(近轴面)和286.61 eV(远轴面),是能够与氧形成单键的C-O,主要源于表面的纤维素;C3的结合能为288.04 eV(近轴面)和288.09 eV(远轴面),为C-O基团标志,综合N(1s)的结合能(399~401 eV)和O(1s)的分峰情况,为蛋白质的酰基标志.茶树根表面除含有与叶表面相同的C1(结合能285 eV)、C2(结合能286.49 eV)和C3(结合能288.78 eV)所代表的角质、蜡质、纤维素和蛋白质之外,还出现了结合能为283.32 eV的C5.由于其结合能低于C1,推测为茶树根表面的有机金属形态.茶树叶和根表面没有木材表面具有的羧基CA,说明根系分泌的有机酸游离存在于根表面.对茶树表面O(1s)图谱的拟合结果与C(1s)结果相吻合.计算不同C和O态所占的比例得知,茶树叶面远轴面含氧基团多于近轴面,呈较高的氧化状态,因此远轴面化学性质较活泼;与叶相比,茶树根的角质和蜡质含量显著降低,含氧基团相对增多,因此化学性质较活泼,适于水分子和其他溶质分子通过.由于蛋白质含量为根表面>远轴面>近轴面,表明根表面的湿润度高于叶表面,而远轴面湿润度高于近轴面.存在于茶树表面Al的结合能均大于单质铝72.7 eV,在73.50 eV以上,为Al2O3形态,这将增大茶树表面的吸附作用.由于根表面Al2O3含量高于叶面,显示根具有更强的吸附能力.  相似文献   

4.
采用石墨还原法成功制备了富氧相Ce2Zr2O8,选用缺氧相Nd2Zr2O7替代其前驱体CeZrO3.5+δ进行结构对比分析,利用X射线衍射(XRD)、拉曼光谱(Raman)、红外光谱(IR)及X射线光电子能谱(XPS)对样品体、表晶体结构进行表征。XRD结果表明,Ce2Zr2O8相具有典型烧绿石结构特征,表征Ce/Zr阳离子有序排列的超结构峰非常明显,但其Zr—O配位体由前驱体中的[ZrO6]八面体转变为[ZrO8]立方体,[ZrO8]配位体形成大大降低了Ce2Zr2O8的结构稳定性。Raman和IR结果表明,Ce2Zr2O8相的振动光谱谱带比其前驱体替代物Nd2Zr2O7显著增多,说明氧离子的富集导致Ce2Zr2O8相中某些振动简并峰消除简并,该结果进一步证实了其结构对称性较前驱体更低。XPS结果表明,Ce2Zr2O8相表面Ce(Ⅳ)特征峰(916.3eV)非常明显,没有Ce(Ⅲ)特征峰(885eV)出现,说明该相前驱体中的Ce3+已被完全氧化成Ce4+;Ce2Zr2O8相中Zr(3d)结合能与萤石相Gd1.2U0.8Zr2O7+y接近证实其表面形成了与体相一致的[ZrO8]配体;O(1s)低位结合能升高表明Ce2Zr2O8体相氧种介于晶格氧和吸附氧之间,高位氧峰出现说明其表面含有吸附氧,吸附氧与Ce2Zr2O8体相结合强度介于CeO2和Nd2Zr2O7之间。  相似文献   

5.
采用溶胶 凝胶法制备了V2 O5 /SiO2 和V2 O5 P2 O5 /SiO2 催化剂 ,用XRD、TPR、IR、TPD和微反应等技术研究了催化剂的表面结构、晶格氧活泼性、化学吸附和异丁烷部分氧化反应性能 .结果表明 ,催化剂的活性组份在无定型的SiO2 表面上呈超细粒子均匀分布 ,表面活性位主要由Lewis碱位 (V =O键的端氧、V -O -V键的桥氧 )和Lewis酸位 (Vn + )构成 ,PO43 - 的引入可以降低表面Lewis碱位V =O键端氧的活泼性 ;异丁烷分子主要通过两个甲基中H双位吸附在催化剂表面Lewis碱位V =O的端氧上 ,PO43 - 的引入使异丁烷的吸附强度略有下降 ;异丁烷在V2 O5 P2 O5 /SiO2 催化剂上反应产物主要是i C4H8、MAL、MAA和COx,PO43 - 的引入可以明显的提高部分氧化产物的选择性  相似文献   

6.
姜平国  汪正兵  闫永播 《物理学报》2017,66(8):86801-086801
采用基于密度泛函理论的第一性原理平面波超软赝势方法,在广义梯度近似下,研究了立方WO_3,WO_3(001)表面结构及其氢吸附机理.计算结果表明立方晶体WO_3理论带隙宽度为0.587 eV.WO_3(001)表面有WO终止(001)表面和O终止(001)表面两种结构,表面结构优化后W—O键长和W—O—W键角改变,从而实现表面弛豫;WO终止(001)表面和O终止(001)表面分别呈现n型半导体特征和p型半导体特征.分别计算了H原子吸附在WO终止(001)表面和O终止(001)表面的H—O_(2c)—H,H—O_(2c)…H—O_(2c),H—O_(1c)—H和H—O_(1c)…H—O_(1c)四种吸附构型,其中H—O_(1c)—H吸附构型的吸附能最小,H—O键最短,H失去电子数最多,分别为-3.684 eV,0.0968 nm和0.55e,此吸附构型最稳定.分析其吸附前后的态密度,带隙从吸附前的0.624 eV增加到1.004 eV,价带宽度基本不变.H的1s轨道电子与O的2p,2s轨道电子相互作用,在-8和-20 eV附近各形成了一个较强的孤立电子峰,两个H原子分别与一个O_(1c)原子形成化学键,最终吸附反应生成了一个H_2O分子,同时产生了一个表面氧空位.  相似文献   

7.
FTIR和XPS对沸石合成特性及Cr(Ⅲ)去除机制的谱学表征   总被引:1,自引:0,他引:1  
以粉煤灰为原料,采用优化的水热晶化法合成沸石,使用XRD,SEM和ζ电位分析沸石产品的组成特性,借助FTIR和XPS等揭示废水中Cr(Ⅲ)的去除机制。合成产品主要为NaP1型沸石,在pH值8~12区间内,ζ电位由-8.72mV降到-24.46mV。准二级方程和Langmuir等温线对试验的拟合效果更好,理论饱和吸附量为33.557 0mg.g-1。FTIR图谱表明—OH和Si—O类官能团在反应过程中有重要贡献。XPS全谱发现:结合能576.45eV为Cr(2p3/2)的特征峰,揭示了吸附过程的有效性。吸附Cr(Ⅲ)后,沸石中Si—Si和Si—O对应的结合能增加了0.25和0.60eV,含Si官能团可能与Cr(Ⅲ)发生了配位反应。O(1s)的结合能在反应后变得更低。这些证据表明:沸石对Cr(Ⅲ)的去除过程是物理吸附和化学吸附共同作用的结果。  相似文献   

8.
PTCDA/ITO表面和界面的X射线光电子能谱分析   总被引:2,自引:1,他引:1  
利用X射线光电子能谱对PTCDA/p-Si有机/无机光电探测器中PTCDA/ITO表面和界面进行了测试分析. 结果表明, 苝环上的C原子的结合能为284.6 eV, 酸酐中的C原子的结合能为288.7 eV, 并存在来源于ITO膜中的氧对C原子的氧化现象, 界面处C(1s)谱中较高结合能峰消失, 且峰值向低结合能发生化学位移;CO键中O原子的结合能为531.5 eV, C-O-C键中的O原子的结合能为533.4 eV.  相似文献   

9.
对新型氧渗透材料Ba0 .5 Sr0 .5 Co0 .8Fe0 .2 O3 -δ(BSCF)进行了O2 TPD表征、非化学计量 (δ)测定、电导率 (σ)测量和氧渗透性能测试的研究 .结果表明 ,经纯氧气氛处理后的BSCF ,其O2 TPD谱存在三个失氧峰 :低温峰对应于晶格中V O 位置上的吸附氧 ,高温区两个峰对应于晶格中两种不同位置的晶格氧 ;σ对温度的实验表明 ,不论在升温还是降温过程中 ,σ在 470℃左右均出现极大值 ,可能与BSCF体系的δ值随温度变化相关 ;氧渗透实验表明 ,850℃以上 ,BSCF的氧渗透率JO2 较大 ,达到 1μmol/cm2 s ,活化能较低 ,Ea =63 .1kJ/mol ,而低于 850℃时 ,存在相分解  相似文献   

10.
采用X射线光电子能谱对Bi2Sr2CaCu2-xLixOy体系在真空中获得的清洁表面进行了研究。结果表明:Li的掺入对Bi和Sr的化学键性质几乎没有影响,而Ca,Cu,O的化学键性质有较大的变化,其结合能随着Li含量x的增加向高能方向移动。同时对真空中获得的清洁表面和普通表面样品O1s进行了比较,结果发现真空中获得的清洁样品O1s有一个峰(528.4eV),而普通表面样品O1s有两个峰(528.4eV)和(531eV),这表明O1s的高能峰是由污染产生的。 关键词:  相似文献   

11.
采用原子力显微镜(AFM)和X射线光电子能谱仪(XPS)研究了氧化铟锡(ITO)/红荧烯(Rubrene)的形貌和表面、界面的电子态。AFM结果显示,ITO上的Rubrene膜有良好的均匀性。XPS结果表明:C1s谱有3个峰,位于282.50,284.70,289.30 eV,对应于C-Si、C O和C-C键。用氩离子束溅射表面,芳香碳对应的峰值逐渐增大,其他两个峰值迅速消失。随着表面O污染的去除,O1s峰先快速减弱然后逐渐增强。界面附近的O原子与C原子结合构成O C、C-O-C和醛基。In3d和Sn3d峰则缓慢增强,在界面附近峰值变得稳定。C1s、In3d、Sn3d谱峰都向低束缚能发生化学位移,表明ITO与Rubrene在界面发生了相互作用,形成一个互扩散层。  相似文献   

12.
The chemisorption of both CO and O2 on a clean tungsten ribbon has been studied using an ultrahigh vacuum X-ray photoelectron spectrometer. For CO, the energy and intensity of photoemission from O(1s) and C(1s) core levels have been studied for various adsorption temperatures.At adsorption temperatures of ~100 K., the “virgin”-CO state was the dominant adsorbed species. Conversion of this state to more strongly-bound β-CO is observed upon heating the adsorbed layer to ~320K. Thermal desorption of CO at 300?T?640 K causes sequential loss of α1-CO and α2-CO as judged by the disappearance of O(1s) and C(1s) photoelectron peaks characteristic of these states.Oxygen adsorption at 300K gives a single main O(ls) peak at all coverages, although at high oxygen coverages there exist small auxiliary peaks at ~2eV lower kinetic energy. The photoelectron C(1s) and O(1s) binding energies observed for these adsorbed species are all lower than for gaseous molecules containing C and O atoms. For CO adsorption states there is a systematic decrease in photoelectron binding energy as the strength of adsorption increases. These observations are in general accord with expectations based on electronic relaxation effects in condensed materials.  相似文献   

13.
I. Hamadeh  R. Gomer 《Surface science》1985,154(1):168-188
The adsorption of CO, and to a lesser extent that of oxygen on Cu layers deposited on a W(110) surface has been investigated by thermal desorption. Auger, and XPS measurements. For CO the amount adsorbed decreases monotonically with Cu thickness from 1–5 layers. For O there is a slight increase for 1 layer, followed by a steep decrease up to 4 Cu layers where the amount adsorbed levels off. CO adsorption shifts the core levels of Cu (observed for 1 layer of Cu) to higher binding energy by 0.4 eV; the O 1s level of CO is also shifted to higher binding energy by 1.5 eV, relative to CO/W(110) suggesting that electron transfer from CO occurs but is passed on to the underlying W. For O adsorption there is very little shift in the Cu core levels or in the O 1s level, relative to O/W(110). Thermal desorption of CO at saturation coverage from Cu/W(110) shows desorption peaks at 195, 227 and 266 K, as well as small peaks associated with CO desorption from clean W, namely a peak at 363 K and β-desorption peaks at 1080 and 1180 K. As CO coverage is decreased the 195 and 227 K peaks disappear successively; the W-like peaks remain unchanged in intensity. It is argued that the latter may be due to adsorption on bare W at domain boundaries of the Cu overlayer, while the 190–266 K peaks are associated with adsorption on Cu, but probably involve reconstruction of the Cu layer. For n = 2–8 a single but composite peak is seen, shifting from 180 to 150 K as Cu thickness increases as well as a minor peak at 278 K, which virtually vanishes on annealing the Cu deposit at 850 K. The effect of tungsten electronic structure on the behavior of adsorbates on the Cu overlayers, as well as similar effects in other snadwich systems are discussed.  相似文献   

14.
吴鸣成 《物理学报》1988,37(11):1785-1793
本文用X射线光电子能谱(XPS),紫外光电子能谱(UPS),电子能量损失谱(EELS)和低能电子衍射(LEED)研究了O与预覆盖K的Ag(110)表面相互作用及其性质。在低覆盖度K下,发现有两种O的吸附态,经鉴别为溶解到表面下的O2-和表面上吸附的Ox-增加K的覆盖度,出现分子状态的吸附物O2δ-,它与表面下存在的K相联系。XPS和UPS均清楚地显示出对应于三种不同吸附态的光电子发射峰。Ag(110)表面预覆盖K后的粘滞系数大大增加。K和O的共吸附引起它们彼此向Ag(110)表面下的溶解。LEED实验结果表明,清洁Ag(110)表面覆盖单层K原子后衍射图形从(1×1)变到(1×2),再吸附O后表面吸附层结构变为(2×1)。另外,结合UPS和EELS测量初步考察了O/K/Ag(110)共吸附系统的电子结构。本文还提出了一个共吸附模型来解释这些现象。 关键词:  相似文献   

15.
The X-ray excited oxygen 1s photoelectron spectra of water adsorbed on clean evaporated films of the heavy rare-earth metals, terbium to lutetium, is characterised by two peaks: (1) at 531.0 ± 0.5 eV binding energy, and (2) at 533.0 ± 0.5 eV binding energy, assigned respectively to oxide and hydroxide species. Variation of the relative intensities of these peaks with exposure to water leads to the postulate that the oxidation mechanism is island growth with a layer of hydroxide at the surface of the oxide island. At low temperatures, adsorption of water gives two additional peaks: (3) at 534.5 ± 0.5 eV, and (4) at 535.7 ± 0.2 eV, assigned respectively to chemisorbed and condensed water. On adsorption of small amounts of dry oxygen the O 1s spectra exhibit solely peak (1), whose intensity increases with further oxygen treatment to reach a steady value after ~40 L exposure. The kinetics of reaction with oxygen follow a logarithmic relation, once correction is made for the effect of escape-depth on peak intensity. However, ytterbium, with a closed 4f shell in the metallic state, exhibits oxidation characteristics different from the other rare-earth metals; its oxygen 1s intensity increases linearly with exposure, and the steady plateau level is reached sharply rather than asymptotically. Island growth with a limited number of nucleation sites may explain this behaviour.  相似文献   

16.
XPS and UPS have been used for a detailed study of the adsorption and coadsorption of CO and oxygen on a clean Ru(001) single crystal. The measured substrate and adsorbate core level binding energies and valence levels are discussed. The O 1s XPS peak intensity has been used for kinetic studies of adsorption and coadsorption. Some studies of the angular dependence of adsorbate and substrate peak intensity ratios are presented. We also present data on the shifts of XPS peaks and changes in UPS spectra as a function of adsorbate coverage. The data are correlated with the results of earlier measurements with other methods.  相似文献   

17.
The adsorption and reaction of H2O on clean and oxygen precovered Ni(110) surfaces was studied by XPS from 100 to 520 K. At low temperature (T<150 K), a multilayer adsorption of H2O on the clean surface with nearly constant sticking coefficient was observed. The O 1s binding energy shifted with coverage from 533.5 to 534.4 eV. H2O adsorption on an oxygen precovered Ni(110) surface in the temperature range from 150 to 300 K leads to an O 1s double peak with maxima at 531.0 and 532.6 eV for T=150 K (530.8 and 532.8 eV at 300 K), proposed to be due to hydrogen bonded Oads… HOH species on the surface. For T>350 K, only one sharp peak at 530.0 eV binding energy was detected, due to a dissociation of H2O into Oads and H2. The s-shaped O 1s intensity-exposure curves are discussed on the basis of an autocatalytic process with a temperature dependent precursor state.  相似文献   

18.
N. Saliba  D. H. Parker  B. E. Koel   《Surface science》1998,410(2-3):270-282
Atomic oxygen coverages of up to 1.2 ML may be cleanly adsorbed on the Au(111) surface by exposure to O3 at 300 K. We have studied the adsorbed oxygen layer by AES, XPS, HREELS, LEED, work function measurements and TPD. A plot of the O(519 eV)/Au(239 eV) AES ratio versus coverage is nearly linear, but a small change in slope occurs at ΘO=0.9 ML. LEED observations show no ordered superlattice for the oxygen overlayer for any coverage studied. One-dimensional ordering of the adlayer occurs at low coverages, and disordering of the substrate occurs at higher coverages. Adsorption of 1.0 ML of oxygen on Au(111) increases the work function by +0.80 eV, indicating electron transfer from the Au substrate into an oxygen adlayer. The O(1s) peak in XPS has a binding energy of 530.1 eV, showing only a small (0.3 eV) shift to a higher binding energy with increasing oxygen coverage. No shift was detected for the Au 4f7/2 peak due to adsorption. All oxygen is removed by thermal desorption of O2 to leave a clean Au(111) surface after heating to 600 K. TPD spectra initially show an O2 desorption peak at 520 K at low ΘO, and the peak shifts to higher temperatures for increasing oxygen coverages up to ΘO=0.22 ML. Above this coverage, the peak shifts very slightly to higher temperatures, resulting in a peak at 550 K at ΘO=1.2 ML. Analysis of the TPD data indicates that the desorption of O2 from Au(111) can be described by first-order kinetics with an activation energy for O2 desorption of 30 kcal mol−1 near saturation coverage. We estimate a value for the Au–O bond dissociation energy D(Au–O) to be 56 kcal mol−1.  相似文献   

19.
采用紫外-可见光谱、X-射线光电子能谱、电子自旋共振谱及质谱等实验手段研究了固态含能材料六硝基菧(HNS)在365 nm紫外光照下的光解机理。HNS的乙腈溶液被紫外光照射后,在310 nm和350 nm处出现了两个新的吸收峰。X-射线光电子能谱实验中,N元素和O元素的窄谱图分别在401 eV和528 eV处出现了新峰。质谱分析则显示在质荷比403和329处出现了两个新的特征离子峰。实验结果表明:CNO2键断裂、分子中NO2基团异构化为亚硝基,以及随后的NO消去等过程均可能发生在六硝基菧的紫外光解反应过程中。  相似文献   

20.
A. Spitzer  H. Lüth 《Surface science》1985,160(2):353-361
The adsorption of H2O on clean and oxygen precovered Cu(110) is studied at temperatures between 90 and 300 K by XPS. On the oxygen precovered surface three O(1s) emission lines are detected at lower temperature. They originate from adsorbed atomic oxygen, from OH groups, and from H2O molecules. For an oxygen coverage of half a monolayer, XPS indicates that during H2O decomposition the preadsorbed oxygen does not directly participate in the OH formation. After water adsorption on the clean surface three O(1s) emission lines are found, which are due to H2O molecules, “disturbed” H2O molecules, and OH groups. The XPS results are directly correlated with information about the adsorbates obtained by UPS. Coverages are determined from the XPS spectra for the detected species.  相似文献   

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