TiO2表面氧空位对NO分子吸附的作用

采用程序升温热脱附(TPD)实验方法测定了NO在TiO2表面吸附后的脱附谱，利用分子轨道理论研究了TiO2吸附NO的原子簇模型及吸附前后的原子簇能级变化．结果表明，NO在TiO2表面吸附后可在两个峰值温度450和980K脱附出N2．TiO2表面经预覆氧处理后，N2的脱附量降低．吸附时NO中的O能够占据TiO2表面氧空位并与N脱离，而N原子则相互结合成为N2脱附．分子轨道理论计算证明在TiO2(110)表面能够存在氧空位并具备吸附NO的结构条件．     

热脱附和气-质联用测定卷烟包装材料中的酞酸酯

建立热脱附-气相色谱-质谱的方法对卷烟包装材料中的酞酸酯(邻苯二甲酸二乙酯、邻苯二甲酸二异丁酯、邻苯二甲酸二正丁酯和邻苯二甲酸正丁正辛酯)进行测定,采用正交实验优化了热脱附条件,优化条件为卷烟包装材料在100℃的热脱附系统(TDS)中热脱附4min,目标物随流量为50mL/min的载气进入-50℃的冷进样系统(CIS4)中冷却,脱附结束后CIS4升温至200℃将目标物挥发进入GC-MS中进行分离和鉴定.采用外标法进行定量,所得校准曲线的线性关系良好,4种酞酸酯在100℃时脱附2min的加标平均回收率范围为80%-90%,相对标准偏差分别为2.07%、3.57%、2.21%和6.38%.该方法样品用量少,前处理简单,重现性较好,可用于卷烟包装材料中酞酸酯的同时测定.     

钨中氢同位素热脱附实验的速率理论模拟研究

本文采用基于速率理论的模拟方法研究钨材料中氢同位素氘的热脱附谱. 热脱附数据来源于520 K下受等离子体辐照的多晶钨, 入射离子能量为40 eV, 剂量为1× 10²⁶ D/m². 通过调节速率理论中的俘获能、俘获率等参数, 最终获得与实验相符合的热脱附拟合谱. 拟合结果表明, 钨中俘获的氘存在于三种俘获态, 俘获能分别为1.14 eV, 1.40 eV和1.70 eV, 相应脱附温度峰值为500 K, 600 K和730 K. 这三个俘获能分别应对应于第一原理计算得到的空位俘获第3–5个氢原子的俘获能(含零点振动能修正)、空位俘获第1–2个氢原子的俘获能, 空位团簇对氢原子的俘获能. 模拟结果表明, 在本辐照实验条件下, 钨中空位及空位团簇是氘在钨中的主要俘获态.     

低能脉冲电子探束研究“气-固”界面

介绍了利用低能脉冲电子探束研究“气-固”界面的基本原理和方法，并实验研究了室温T=300K、1×10^-3Pa真空条件下， O₂，N₂-Ni，W“气-固”界面的相互作用，即吸附、脱附与置换作用，测量了电子诱导脱附产额、脱附截面和阈值能量，给出了实验结果分析与结论. 关键词： 脉冲电子探束 电子诱导脱附 阈值能量 脱附截面     

水分子在水化蒙脱石表面脱附行为的第一性原理研究

使用密度泛函理论计算研究了水分子在蒙脱石(MMT)表面的脱附作用．水分子在MMT 表面的脱附受到配衡离子(Li+,Na+,或K+),MMT表面和吸附水分子的共同作用．通过势能面扫描得到了脱附水分子在MMT表面脱附的能量路径．通过对脱附水分子能量路径的分析发现：水分子在MMT 表面的脱附能垒受到配衡离子种类的影响,半径较小的配衡离子具有较大的脱附能垒．此外,吸附水的存在能降低脱附水分子的脱附能垒,使脱附过程容易触发．     

水分子在水化蒙脱石表面脱附行为的第一性原理研究

使用密度泛函理论计算研究了水分子在蒙脱石(MMT)表面的脱附作用.水分子在MMT表面的脱附受到配衡离子(Li~+,Na~+,或K~+),MMT表面和吸附水分子的共同作用.通过势能面扫描得到了脱附水分子在MMT表面脱附的能量路径.通过对脱附水分子能量路径的分析发现:水分子在MMT表面的脱附能垒受到配衡离子种类的影响,半径较小的配衡离子具有较大的脱附能垒.此外,吸附水的存在能降低脱附水分子的脱附能垒,使脱附过程容易触发.     

负离子光致脱附实验紫外激光光路设计及测试

本为开展紫外区负离子激光光致脱附实验研究，设计了一套紫外激光光路系统，并对光路进行了性能测试。测试结果表明此光路能够满足负离子激光光致脱附实验的基本要求。该光路系统即将用于负离子光致脱附的物理研究工作中。     

基于非平衡电桥原理的热导池

热导池的核心结构是非平衡电桥,介绍了热导池的工作原理,并进行了程序升温还原和程序升温脱附实验.     

电子电气产品中挥发性有机化合物的释放量测定

采用小型释放舱-热脱附-气相色谱-质谱联用技术测定了电子电气产品中8种挥发性有机化合物（苯、甲苯、邻二甲苯、间二甲苯、对二甲苯、乙苯、乙酸丁酯和苯乙烯）的释放量.对一级脱附参数（一级脱附温度、一级脱附流量、一级脱附时间）、冷阱温度、捕集管脱附温度、脱附时间条件进行了优化,并进行了线性关系、回收率、精密度等试验.结果表明：本方法可用于测定电子电气产品中释放的8种常见的挥发性有机化合物的释放量,线性范围10-1000ng,当采样量为6L时,定量限为1.7μg/m3,回收率范围在89.5％-106％之间,相对标准偏差小于7％.     

NO在清洁和Cs覆盖的Ru(10-10)表面上吸附的热脱附谱

用热脱附谱等方法研究了ＮＯ分别在清洁和Ｃｓ覆盖的Ｒｕ（１０＾－１０）表面上的吸附。结果表明：存在两种ＮＯ分子吸附态（ａ１,ａ２）,脱附温度分别处于３２５℃和５５０℃附近。Ｃｓ的存在增加了Ｒｕ（１０＾－１０）表面上ａ２态的吸附位置,提高了该态的脱温度。Ｃｓ在Ｒｕ（１０＾－１０）表面的存在同时促进了吸附ＮＯ分子的分解。ＮＯ在Ｒｕ（１０＾－１０）表面上分解后形成吸附Ｏ原子和Ｎ原子。Ｎ原子复合以Ｎ２在约５     

Condensation and desorption of nickel tetra-carbonyl on Cu(1 1 0)

The condensation and desorption of nickel tetra-carbonyl (Ni(CO)₄) on Cu(1 1 0) has been studied by thermal desorption spectroscopy. A quite unusual evolution of the desorption spectra is observed. First a desorption peak appears at around 140 K, which disappears with increasing coverage and merges into a clearly separated new desorption peak at around 150 K. This transformation takes place at a coverage of about 10% of a monolayer. It is suggested that the low temperature peak is due to desorption of monomers. With increasing coverage nucleation and growth of multilayer islands starts, from which the desorption energy is higher due to the higher coordination of the carbonyl molecules, compared to that of the monomers. Evaluation of the multilayer desorption spectra yields a desorption energy of 57.9 kJ/mol (0.60 eV) and an unusually high frequency factor of 1.6 × 10¹⁹ s⁻¹.     

固体吸附式制冷系统性能的实验研究

搭建了吸附系统性能实验装置和吸附式制冷实验台,将活性炭与铝屑混合配置作为研究对象。实验表明:当活性炭与铝屑的混合比例为10:7时,该混合吸附剂吸附率最大;解吸温度从82℃升到96℃时,蒸发温度与解吸温度成负相关,当解吸温度为96℃时,蒸发温度最小为14.2℃;解吸温度从82℃升到96℃时,系统COP与解吸温度成正相关,当解吸温度为96℃时,系统COP最大为0.212。     

热解吸气相色谱法测定皮鞋厂室内的苯含量

采用热解吸气相色谱法分别测定皮鞋厂成型车间、缝制车间和配料车间空气中的苯含量.用活性炭吸附管采集样品,并放入热解吸仪中加热,通氮气解吸出苯,用气相色谱仪FID检测器分析.结果表明,采样量为10L时,热解吸气相色谱法的平均解吸效率为97.5％,精密度和灵敏度均较高,适用于工作场所中苯浓度的测定.检测数据显示3个场所的苯浓度均符合国家标准.     

Active oxidation: Silicon etching and oxide decomposition basic mechanisms using density functional theory

The etching of silicon atom from the Si(1 0 0)-p(2 × 2) surface, i.e. the desorption of SiO molecules from this surface, either clean or pre-oxidized, is investigated at the density functional theory level. The reaction paths for desorption are given as a function of the initial oxidation state of the extracted silicon atom. The associated activation energies and the atomic configurations are discussed. Particularly, it is shown that desorption of SiO molecules takes place during conventional thermal oxide growth (∼2 eV activation) via non-oxidized silicon atoms. Further SiO extraction mechanisms of higher silicon oxidation states required higher temperatures. In particular, doubly oxidized silicon atoms (Si²⁺) are able to decompose with an activation of ∼4 eV which corresponds to the actual temperature where decomposition of oxides is observed. This confirms the statement that decomposition of oxide layer nucleates at the interface with silicon where Si²⁺ has been detected thanks to XPS experiment.     

Field desorption of common gases from iridium and tungsten

The technique of field desorption has been used to study adsorption and desorption of gases from field ion tips. The formal procedure of the experiments is quite similar to thermal flash desorption. Values for the desorption field and their change with coverage have been obtained. For H₂/W a field adsorbed state could be detected. Time-of-flight analysis was applied to determine the desorbing species. The gas supply for field ion tips could be measured; it increases exponentially with the field.     

分子筛在真空低温下水汽吸附脱附性实验研究

空间遥感仪器红外通道的信号衰减,入轨初期的主要原因是由于材料释放的水汽在低温光学窗口表面沉积,导致红外透射率降低所致。主动吸附是控制低温沉积污染的措施之一。分子筛对包括水汽在内的多种污染物具有良好的吸附作用,可以作为控制污染物的吸附材料。目前对于分子筛吸附特性的研究集中在常压环境。通过试验测试了13x型分子筛在高真空低温环境下,对水汽的吸附特性。     

Electron-stimulated desorption of thin epitaxial films of KBr grown on (100)InSb

We have measured time-of-flight (TOF) distributions of Br atoms desorbed from thin (less than 1000 Å) epitaxial films of KBr on (100) InSb with a 2 keV electron beam. Although the general structure of the TOF spectra was similar to that obtained previously for the thick crystals, both the fast and the slow (thermal) components of the distribution were strongly dependent on the film thickness. We argue that this dependence is due to two different diffusion processes involved in the transport of the primary excitation products from the bulk to the surface. By measuring the velocity resolved ESD yield for films of various thicknesses, we determined that a diffusion length of the carriers responsible for the thermal ESD component varied from 30 to 700 Å with temperature in the range 20–300°C. In contrast, for the non-thermal desorption we found the carrier diffusion length of about 140 Å which did not depend significantly on the temperature.     

Optical second-harmonic investigations of the isothermal desorption of SiO from the Si(100) and Si(111) surfaces

The isothermal desorption of SiO from the Si(100) and Si(111) surfaces was investigated by means of optical second-harmonic generation (SHG). Due to the high adsorbate sensitivity of this method, desorption rates could be measured over a wide range from 10⁻¹ to 10⁻⁶ ML s⁻¹. From their temperature dependence between 780 and 1000 K, activation energies of E_A=3.4±0.2 eV and E_A=4.0±0.3 eV and pre-exponential factors of ν₀=10^16±1 s⁻¹ and ν₀=10^20±1 s⁻¹ for SiO desorption were obtained for Si(100) and Si(111), respectively. In the case of the Si(100) surface, a pronounced decrease of the first-order rate constants was observed upon increasing the initial coverage from 0.02 to 0.6 ML. The results are interpreted in terms of coverage-dependent oxygen-binding configurations, which influence the stability of the oxide layer.     

Adsorption/desorption behavior of protein on nanosized hydroxyapatite coatings: A quartz crystal microbalance study

Protein separation relates closely to the interactions between proteins and various kinds of adsorbents. To obtain a direct and comprehensive understanding of the protein interaction at the solid/solution interface, quartz crystal microbalance (QCM) technique was employed to in situ investigate the adsorption process of bovine serum albumin (BSA) on nanosized hydroxyapatite coatings, and factors affecting its adsorption such as pH, solution ionic strength and temperature were discussed in detail. The adsorption kinetic parameter and the desorption of adsorbed BSA caused by phosphate buffer solution (PBS) introduction were investigated and discussed as well, and an adsorption/desorption mechanism has been proposed. The obtained information suggests that QCM is a useful method for monitoring the adsorption/desorption behavior of BSA on nanosized hydroxyapatite coating.