【摘 要】
：
The mixed-phase TiO2 has been reported1 to exhibit higher activity than single-phase TiO2 in recent years and the high photocatalytic activity of mixed-phase TiO2 is revealed because there is an appro
【机 构】
：
中国科学技术大学化学物理系 安徽省合肥市 厦门大学化学化工学院 福建省厦门市
论文部分内容阅读
The mixed-phase TiO2 has been reported1 to exhibit higher activity than single-phase TiO2 in recent years and the high photocatalytic activity of mixed-phase TiO2 is revealed because there is an appropriate band engineering by the heterojunctions between the two phases,and photogenerated electrons and holes can be driven to the different materials by the band bending,and simultaneously the oxidation and reduction reaction centers are spatially separated.We try to shed light details about the electronic structures of the different heterostructures,through a first-principles study aimed to gaining insight on the role played by the junctions.The details of bonding of the junction are investigated and the macroscopic average potentials are calculated.It is found that the band offsets for VB and CB in the junction are 0.52 eV and 0.15 eV,respectively,which would enhance the photogenerated charge carrier separation.
其他文献
能源是人类社会赖以生存和发展的重要物质基础，是经济和社会发展的重要资源。当今，对可靠的、可规模化的能量转换和存储技术有着迫切需求。设计有序的纳米结构阵列可以有效提高能源储存和转化效率。本报告主要讲述如何结合使用压印和阳极氧化技术来制备多孔氧化铝阵列，如纳米阱、纳米碗和纳米锥。我们利用这些纳米阵列结构来构建三维的光电化学电极或者电化学储能电极等，这类电极能很大幅度地提高器件的性能。例如，就光电化学分
层状Ti3SiC2材料兼具金属和陶瓷的性能,具有良好的导热性、导电性、自润滑性、耐磨损、高断裂韧性、高温抗氧化等优异性能,有着广阔的应用前景.我们通过自蔓延高温合成了高活性Ti3Si0.75Al0.25C2粉体,再通过超声剥离获得了直径100-200nm,厚度约4nm的Ti3Si0.75Al0.25C2超薄纳米片[1].该纳米片作为锂离子负极材料时表现出具有较高的容量,优异的稳定性能,循环性能和倍
我们利用电化学沉积法制备了三维(3D)树枝状镍网(Ni)支撑的MnO2纳米线阵列电极(3D Ni/MnO2).研究结果表明：3D Ni/MnO2表现出三维、分级、多孔的纳米阵列结构,其厚度约为200 um；同时MnO2纳米线垂直且密集地生长在三维树枝状镍网骨架上,纳米线直径约为15 nm,长度约为300 nm.此外,当MnO2的沉积量为0.35 mg cm-2时,3D Ni/MnO2电极的放电比电
在Cu(110)单晶上生长的CuO单层膜表面成功的制备了单原子分散的Au.这些Au单原子具有很好的结构均一性和热稳定性——可以在室温以上稳定存在，并使用扫描隧道显微镜在单分子尺度上表征了其对CO的吸附.CuO单层膜的周期性势阱和增强的Au与CuO的相互作用力是造成Au单原子分散的原因.
本工作利用近常压原位XPS研究了金属-氧化铈和Cu-Fe-Al-O催化剂的水煤气反应过程.金,铂,钯和铜纳米粒子负载在介孔氧化铈孔道内表现出比负载在纳米棒状氧化铈上更低的水煤气转化反应活化能,近常压原位XPS研究表明,反应条件下两种氧化铈载体上负载的金属都为金属态,介孔氧化铈比棒状氧化铈在反应条件下Ce3+的相对含量高,能提供更多的氧空位活化水分子从而有更好的催化性能.350 ℃还原的Cu-Fe-
To realize a green society,hydrogen production from renewable resources is urgently required.With the reformed methanol fuel cells,methanol can be converted into hydrogen.However,the state-of-the-art
在能源危机、环境污染等多重压力下,煤基费托合成技术的重要性日渐显著。铁基催化剂在费托工业化中应用最广泛,其主要催化活性相为χ- Fe5C2[1-3]。贵金属助剂是重要的铁基费托催化剂助剂[4,5],但对其作用机理的认识仍然不清楚。
We present a computational insight into the hydrogenation of CO2 catalyzed by a serious of classical catalysts,[Cp*M(6,6-R2-bpy)(OH2)]SO4(M = Co,Rh,Ir,bpy = 2,2-bipyridine,R = OH).Our research has rev
Cis-to-trans and trans-to-cis photoisomerization of a rhodopsin-based molecule 4-[4-Methylbenzylidene]-5-p-tolyl-3,4-dihydro-2H-pyrrole(MDP for short,synthesized by Sampedro et al.)induced by excitati
The origin of stereodivergence between copper and gold catalyzed cascade 1,3-phosphatyloxy and 1,3-halogen migration from α-halo-propargylic phosphates to 1,3-Dienes is rationalized with density funct