氧化石墨烯负载的Pt单原子催化硼胺烷水解机理的理论研究

本文研究了氧化石墨烯负载Pt单原子(Pt₁/Gr-O)催化硼胺烷(NH₃BH₃)全水解反应机理,即一分子的NH₃BH₃生成三分子的氢气(H₂)的过程. 在水解路径中,首先吸附的硼胺烷连续断裂两个B-H键生成第一分子的H₂. 接着,一个H₂O分子与^*BHNH₃基团(^*表示吸附态)反应生成^*BH(H₂O)NH₃,其中伸长的O-H键断裂后形成^*BH(OH)NH₃. 然后,第二个H₂O与^*BH(OH)NH₃反应生成^*BH(OH)(H₂O)NH₃,在指向Pt₁/Gr-O表面的O-H断裂后,生成BH(OH)₂NH₃并脱附到水溶液中. 两个水分子脱氢产生的两个H原子脱附生成第二个H₂分子,且Pt₁/Gr-O催化剂恢复. 脱附后的BH(OH)₂NH₃在水溶液中水解生成第三个H₂分子. 纵观整个水解反应,H₂O分子和^*BHNH₃基团的结合是反应速控步,其反应能垒是16.1 kcal/mol. 因此,Pt₁/Gr-O有希望成为室温催化NH₃BH₃全水解催化剂.     

NO_x在Pt及其合金表面吸附的第一性原理模拟研究

本研究通过密度泛函理论(DFT)模拟氮氧化物(NO_X)在Pt及Pt/(Au,Rh)合金slab模型(111)表面的吸附行为,计算其吸附能与结合能.对比NO和NO_2的实验结果,表明合金元素的添加,可能使Pt(111)对NO_X的吸附能力和选择性发生变化,其中Au元素表面置换使得总吸附能力下降,但更容易吸附NO_2; Rh元素表面置换则使得总吸附能力提高,且更容易吸附NO.     

变延迟进动定制激发(DANTE)序列在工程中的优化设计

变延迟进动定制激发（Delays Alternating with Nutation for Tailored Excitation,DANTE）序列作为一种黑血预脉冲序列,通过连续施加小角度激发脉冲,以及结合散相梯度,使得流动物质和静态物质达到不同的稳态,从而抑制流动的血液.对于静态物质而言,施加DANTE序列后在图像等间隔的位置会出现暗条纹,暗条纹的宽度与梯度幅值和小单元持续时间乘积相关：乘积越大,暗纹宽度越小.对于动态物质而言,为达到较好的抑制效果,需要增加整个DANTE序列模块的准备时间,并且增大梯度幅值和小单元持续时间的乘积.因此,该方法对于梯度系统的要求较高,而实际梯度放大器（Gradient Amplifier,GPA）有一定的限额.在有限的GPA条件下,为使得DANTE序列具有更好抑制流动信号效果,本文在读出方向以及片层旋转两个方面进行了梯度优化,实现了更好的黑血效果.     

(2+1)-Dimensional AdS Black Hole in Grand Canonical Ensemble

We investigate thermodynamics of the (2+1)-dimensional AdS black hole in grand canonical ensemble. In the York's formalism, the black hole is enclosed in a “box” with a finite radius and the boundary temperature, radius and potential are fixed in the grand canonical ensemble. We investigate the thermodynamical properties such as action, entropy, temperature, etc. We only find the stable solution for (2+1)-dimensional AdS black hole and do not find the instanton with the negative heat capacity.     

应用ICP-MS测定城市道路尘土中铂族元素

自然条件下,铂族元素(PGEs)一直被认为是表生条件下的痕量元素。但是,随着铂族元素在机动车排放催化剂及其他方面的广泛使用,最终导致Pt,Pd,Rh会排放到环境中。目前,铂族元素在环境中存在一定程度的积累现象,机动车尾气催化转换器被认为是其污染的主要来源。为研究北京市城区内道路尘土铂族元素的污染状况,于2010年11月采集了北京市内大型居民社区内的道路尘土样品。样品先经王水热消解以及阳离子交换树脂(Dowex AG50W-X8)分离纯化后,采用电感耦合等离子体质谱仪(ICP-MS)分析了道路尘土样品中三种铂族元素(铂(Pt)、钯(Pd)和铑(Rh))的浓度。结果表明：北京城区内居民社区道路尘土中Pd,Pt和Rh的含量范围分别为：14.20～161.80,9.39～70.80和3.18～17.05 ng·g-1,其平均浓度分别为50.76,23.82和7.54 ng·g-1,高于北京市土壤背景值, 说明北京城市居民社区内道路尘土中PGEs已经有了一定程度的富集。其中,Pd,Pt和Rh分别高于北京土壤背景值约49.8,32.6和5.1倍。为了定量评价道路尘土中PGEs的污染状况,采用地积累指数法对北京市道路尘土进行了评价。地积累指数法评价结果发现：大型居民社区内道路尘土中PGEs污染程度由强至弱的顺序依次为：Pd＞Pt＞Rh,总体而言,北京城区内大型居民社区内道路尘土存在较为明显的PGEs污染。     

Ni-P alloy-carbon black composite films fabricated by electrodeposition

Ni-P alloy-carbon black (CB) composite films were fabricated by electroplating and their microstructures and properties were examined. The CB and phosphorus contents of the composite films were also investigated. The CB particles were found to be embedded in the Ni-P alloy matrix. The CB content in the deposits increased, reached a maximum value of 0.77 mass% with increasing CB concentration in the bath up to 10 g dm⁻³, and then decreased with a further increase in the CB concentration in the bath. Both before and after heat treatment, the composite films had higher hardnesses and lower friction coefficients than the Ni-P alloy films. Both before and after heat treatment, the friction coefficient of 0.77 mass% CB composite films was about half that of Ni-P alloy films without CB.     

Thermodynamic Properties and Thermodynamic Geometries of Black p-Branes

The heat capacity and the electric capacitance of the black p-branes(BPB) are generally defined,then they are calculated for some special processes.It is found that the Ruppeiner thermodynamic geometry of BPB is flat.Finally,we give some discussions for the flatness of the Ruppeiner thermodynamic geometry of BPB and some black holes.     

NON-THERMAL RADIATION FROM A NON-KERR－NEWMAN BLACK HOLE

In the spacetime of a charged spinning black hole, the distribution of particle energy levels has been studied. Near the event horizon of such a black hole a crossing of the particle energy levels exists, which leads to the occurrence of non-thermal radiation of the black hole. This quantum effect is non-thermal and also different from those of the Kerr and Kerr－Newman black holes.     

Nanosized metal deposits on titanium dioxide for augmenting gas-phase toluene photooxidation

The build-up of intermediate species on the surface of TiO₂ during gas-phase toluene (C₇H₈) photodegradation has been observed to deactivate the photocatalyst. Nanosized metallic deposits on the TiO₂ surface may enhance the photocatalytic process and improve photocatalyst performance. In this study, noble (Ag, Au) and platinum group (Pt, Pd, Rh) metals, at a nominal loading of 0.5 at.%, were deposited onto Degussa P25 TiO₂ to enhance photocatalyst performance and inhibit deactivation. Pd, Rh and Au deposits delayed photocatalyst deactivation by a factor of 2, while Pt deposits delayed photocatalyst deactivation by a factor of 20, when compared with neat TiO₂. Ag deposits did not improve photocatalyst activity. Metal deposit performance was related to the work function of each metal, however, the Pt finding suggested that these effects are not governed solely by this aspect, but factors such as deposit characteristics and/or thermal catalytic properties of the metals may be influential.     

Vaidya-Bonner黑洞的费米子隧穿

运用费米子隧穿的理论,对Vaidya-Bonner黑洞的费米子Hawking辐射进行研究.使用随动坐标变换,并假设γ^μ矩阵的一个合理形式,从而得到了Vaidya-Bonner黑洞的自旋为1/2的粒子的隧穿辐射行为. 关键词： Vaidya-Bonner黑洞 Dirac方程 Hawking辐射 费米子隧穿