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1.
掺杂是调控金刚石性能的一种重要手段。本文采用温度梯度法,在5.6 GPa、1 312 ℃的条件下,选用Fe3P作为磷源进行磷掺杂金刚石大单晶的合成。金刚石样品的显微光学照片表明,随着Fe3P添加比例的增加,金刚石晶体的颜色逐渐变深,包裹体数量逐渐增加,晶形由板状转变为塔状直至骸晶。金刚石晶形的变化表明Fe3P的添加使生长金刚石的V形区向右偏移,这是Fe3P改变触媒特性的缘故。红外光谱分析表明,Fe3P的添加使金刚石晶体中氮含量上升,这说明磷的进入诱使氮原子更容易进入金刚石晶格中。激光拉曼光谱测试表明,随着Fe3P添加比例的增加,所合成的掺磷金刚石的拉曼峰位变化不大,其半峰全宽(FWHM)值变大,这说明磷的进入使得金刚石晶格畸变增加。XPS测试结果显示,随着Fe3P添加比例的增加,金刚石晶体中磷相对碳的原子百分含量也会增加,这意味着添加Fe3P所合成的金刚石晶体中有磷存在。 相似文献
2.
We establish the global well-posedness of a strong solution to the 3D tropical climate model with damping. We prove that there exists the global and unique solution for α, β, γ satisfying one of the following three conditions: (1) ; (2) ; (3) . 相似文献
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Long Lin Jingtao Huang Weiyang Yu Chaozheng He Hualong Tao Yonghao Xu Linghao Zhu Pengtao Wang Zhanying Zhang 《理论物理通讯》2020,72(3):35501-82
Gas molecules(such as CH4,CO,H2O,H2S,NH_3)adsorption on the pure and Au-doped WO3(001)surface have been studied by Density functional theory calculations with generalized gradient approximation.Based on the the calculation of adsorption energy,we found the most stable adsorption site for gas molecules by comparing the adsorption energies of different gas molecules on the WO3(001)surface.We have also compared the adsorption energy of five different gas molecules on the WO3(001)surface,our calculation results show that when the five kinds of gases are adsorbed on the pure WO3(001)surface,the order of the surface adsorption energy is CO>H2S>CH4>H2O>NH3.And the results show that NH3 is the most easily adsorbed gas among the other four gases adsorbed on the surface of pure WO3(001)surface.We also calculated the five different gases on the Au-doped WO3(001)surface.The order of adsorption energy was found to be different from the previous calculation:CO>CH4>H2S>H2O>NH3.These results provide a new route for the potential applications of Au-doped WO3 in gas molecules adsorption. 相似文献
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《结构化学》2020,39(8):1496-1502
A water-stable porous anionic metal-organic framework(MOF), [(CH_3)_2NH_2][In(TCPP)_(4/3)]_n·(2DMF)_n(3H_2O)_n(1, TCPP = 1,1,2,2-tetra(4-carboxylbiphenyl)ethylene), was synthesized. Here, compound 1 showed extremely high sensitivity and selectivity to current general-purpose pesticide 2,6-dichloro-4-nitroaniline(DCN) in aqueous solution. The fluorescence intensity of compound 1 could be decreased as much as 80% by 6 mL DCN, and it was almost completely quenched only with 20 mL DCN. The results indicate that compound 1 can act as a fluorescent probe for DCN. 相似文献
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MAX相是一类具有层状结构的三元碳化物或(和)氮化物,M是过渡金属元素,A主要是ⅢA~ⅤA族元素,X是C或N元素。这类化合物兼具陶瓷材料和金属材料的特点,具有优异的导电、导热、耐腐蚀以及抗氧化等性能,在诸多领域具有潜在应用价值。近年来,新元素、新结构和固溶体MAX相的不断出现,进一步扩展了MAX相家族。固溶体MAX相是将合适的元素固溶到已知MAX相中而得到的新MAX相。本文分四类总结了127种MAX相固溶体,对其结构改变和性能调控进行了概括,并指出目前研究存在的理论问题和亟须解决的关键技术,最后对MAX相固溶体的发展进行了预测和展望。 相似文献
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Dr. Peng Luo Dr. Xue-Jing Zhai Dr. Sha Bai Dr. Yu-Bing Si Dr. Xi-Yan Dong Prof. Dr. Ying-Feng Han Prof. Dr. Shuang-Quan Zang 《Angewandte Chemie (International ed. in English)》2023,62(22):e202219017
Chiral Au nanoclusters have promising application prospects in chiral sensing, asymmetric catalysis, and chiroptics. However, enantiopure superatomic homogold clusters with crystallographic structures emitting bright circularly polarized luminescence (CPL) remain challenging. In this study, we designed chiral N-heterocyclic carbenes (NHCs), and for the first time enantioselectively synthesized a pair of monovalent cationic superatomic Au13 clusters. This new enantiomeric pair of clusters has a quasi-C2 symmetric core and exhibited CPL with an unprecedent solution-state quantum yield (QY) of 61 % among those of the atomically precise Au nanoclusters. DFT calculations provided insights into the circular dichroism behavior, and revealed the origin of CPL from superatomic Au clusters. This work opens a new avenue for developing novel homochiral nanoclusters using chiral NHC ligands and provides fundamental understanding of the origin of the chiroptics of metal clusters. 相似文献
9.
合成并通过单晶X射线衍射、元素分析及红外光谱表征了配合物[Cu2(L)2Cl2](1)和[Cu2(L)2(OAc)2](2)的结构(HL为3-甲基2-乙酰吡嗪缩4-苯基氨基脲)。单晶衍射结果表明,2个配合物中,每个拥有四方锥配位构型的Cu(Ⅱ)离子与来自1个阴离子配体L-的N2O电子供体和2个阴离子配位(1中为氯离子,2中为醋酸根离子),其中1个阴离子为μ2桥联配位模式。荧光光谱结果表明,配合物与DNA的相互作用强于配体。 相似文献
10.
The synthesis of ammonia (NH3) through the electrochemical reduction of molecular nitrogen (N2) is a promising strategy for significantly reducing energy consumption compared to traditional industrial processes. Herein, we report the design of a series of monovacancy and divacancy defective graphenes decorated with single 3d transition metal atoms (TM@MVG and TM@DVG; TM=Sc−Zn) as electrocatalysts for the nitrogen-reduction reaction (NRR) aided by density functional theory (DFT) calculations. By comparing energies for N2 adsorption as well as the free energies associated with *N2 activation and *N2H formation, we successfully identified V@MVG, with the lowest potential of −0.63 V, to be an effective catalytic substrate for the NRR in an enzymatic mechanism. Electronic properties, including Bader charges, charge density differences, partial densities of states, and crystal orbital Hamilton populations, are further analyzed in detail. We believe that these results help to explain recent observations in this field and provide guidance for the exploration of efficient electrocatalysts for the NRR. 相似文献