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1.
2.
Sha Xia Dan Wang Nian-Ke Chen Dong Han Xian-Bin Li Hong-Bo Sun 《Annalen der Physik》2020,532(3):1900318
Defects play a central role in controlling the electronic properties of two-dimensional (2D) materials and realizing the industrialization of 2D electronics. However, the evaluation of charged defects in 2D materials within first-principles calculation is very challenging and has triggered a recent development of the WLZ (Wang, Li, Zhang) extrapolation method. This method lays the foundation of the theoretical evaluation of energies of charged defects in 2D materials within the first-principles framework. Herein, the vital role of defects for advancing 2D electronics is discussed, followed by an introduction of the fundamentals of the WLZ extrapolation method. The ionization energies (IEs) obtained by this method for defects in various 2D semiconductors are then reviewed and summarized. Finally, the unique defect physics in 2D dimensions including the dielectric environment effects, defect ionization process, and carrier transport mechanism captured with the WLZ extrapolation method are presented. As an efficient and reasonable evaluation of charged defects in 2D materials for nanoelectronics and other emerging applications, this work can be of benefit to the community. 相似文献
3.
从点电荷的电势计算公式出发推导出了瓣形均匀带电面在其直径处的电势分布.进一步讨论了均匀带电半球面在其底面以及均匀带电球面内部和外部的电势分布. 相似文献
4.
Influence of the Type of a Ligand on the Intensity of Luminescence of Ln3+ Ions in Aqueous Solutions
I. V. Barsukov E. N. Kabaeva V. V. Syt'ko S. D. Umreiko 《Journal of Applied Spectroscopy》2003,70(3):470-473
The luminescence characteristics of hydrated Ln3+ ions and their complexes with some acidic ligands have been investigated. The possibility of determining the stability of the complexes of lanthanides in solutions from the intensity of luminescence bands is shown. The influence of the characteristic features of the f-electron shell of Ln3+ on the formation of the spectrochemical series is discussed. 相似文献
5.
6.
S. Mancini D. Vitali V. Giovannetti P. Tombesi 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2003,22(3):417-422
We show that the optomechanical coupling between an optical cavity mode and two movable cavity mirrors is able to entangle
two different macroscopic oscillation modes of the mirrors. This continuous variable entanglement is maintained by the light
bouncing between the mirrors and is robust against thermal noise. In fact, it could be experimentally demonstrated using present
technology.
Received 2 September 2002 / Received in final form 10 October 2002 Published online 7 January 2003 相似文献
7.
B. Saha S. Bhattacharyya T. K. Mukherjee P. K. Mukherjee 《International journal of quantum chemistry》2003,92(5):413-418
In the framework of nonrelativistic variational formalism a new type of basis set is proposed, to estimate separately the effect of radial and angular correlations on the ground‐state energy for helium isoelectronic sequence H? to Ar16+. Effect of radial correlation is incorporated by using multiexponential functions arising from product basis sets suitably formed out of Slater‐type one‐particle orbitals. The angular correlation can be switched on by incorporating an expansion in terms of basis involving interparticle coordinates. With a set of six‐term Slater‐type one‐particle basis and five‐term interparticle expansion, the ground‐state energy of helium is estimated as ?2.9037236 (a.u.) compared with the multiterm variational estimates ?2.9037244 (a.u.) due to Pekeris and Thakkar and Smith and Drake. Matrix elements of different operators in the ground state have been calculated and found to be in good agreement with available accurate results. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003 相似文献
8.
EQCM and voltammetric data show that thallium(I) ions, which are adsorbed in the region of the positive surface charge, most probably, in the form of the ionic pairs, are not reduced. In this potential region, thallium(I) ions are reduced directly from the solution. At more negative potentials, the previously adsorbed stable ionic pairs slowly undergo transition into the less stable form. From this form, thallium(I) ions can be reduced or desorbed into the solution. The process is best described by a model of one electron, i.e., full charge transfer. 相似文献
9.
C. Guillermier 《Applied Surface Science》2006,252(19):6644-6647
The yield of CN from glycine rises from one CN per projectile impact to two when the sample is covered with a nominally 1 nm thick layer of silver. These yields were obtained for bombardment with Au4004+ projectile with 136 keV impact energy. A multitude of CN-based clusters, e.g. AgxOy(CN)z are produced concurrently. As a result, a total of three CN-based secondary ions are generated per projectile impact. The exceptionally high yield for CN is of interest for biological SIMS. 相似文献
10.
Specific molecules in cardiac tissue of spontaneously hypertensive rats are studied by using time-of-flight secondary ion mass spectrometry (TOF-SIMS). The investigation determines phospholipids, cholesterol, fatty acids and their fragments in the cardiac tissue, with special focus on cardiolipin. Cardiolipin is a unique phospholipid typical for cardiomyocyte mitochondrial membrane and its decrease is involved in pathologic conditions. In the positive polarity, the fragments of phosphatydilcholine are observed in the mass region of 700-850 u. Peaks over mass 1400 u correspond to intact and cationized molecules of cardiolipin. In animal tissue, cardiolipin contains of almost exclusively 18 carbon fatty acids, mostly linoleic acid. Linoleic acid at 279 u, other fatty acids, and phosphatidylglycerol fragments, as precursors of cardiolipin synthesis, are identified in the negative polarity. These data demonstrate that SIMS technique along with Au3+ cluster primary ion beam is a good tool for detection of higher mass biomolecules providing approximately 10 times higher yield in comparison with Au+. 相似文献