School of Physics and Microelectronics Science, Hunan University, Changsha 410082, China.
Phys Chem Chem Phys. 2010 Mar 7;12(9):2177-82. doi: 10.1039/b917326a. Epub 2010 Jan 18.
Incorporating the BOLS correlation algorithm [Y. Sun, J. Phys. Chem. C, 2009, 113, 14696] into high-resolution XPS measurements [J. N. Andersen, et al., Phys. Rev. B: Condens. Matter, 1994, 50, 17525; A. Baraldi, et al., New J. Phys., 2007, 9, 143] has produced an effective way of determining the 3d(5/2) energy levels of isolated Rh(302.163 +/- 0.003 eV) and Pd (330.261 +/- 0.004 eV eV) atoms and their respective bulk shifts (4.367 and 4.359 eV) with a refinement of the effective atomic coordination numbers of the top (100), (110), and (111) atomic layers (4.00, 3.87, and 4.26, respectively). It is further confirmed that the shorter and stronger bonds between under-coordinated atoms induce local strain and skin-depth charge-and-energy quantum trapping and, hence, dictate globally the positive core level binding energy shifts.
将 BOLS 相关算法[Y. Sun, J. Phys. Chem. C, 2009, 113, 14696]纳入高分辨率 XPS 测量[J. N. Andersen, et al., Phys. Rev. B: Condens. Matter, 1994, 50, 17525; A. Baraldi, et al., New J. Phys., 2007, 9, 143]已经产生了一种有效方法来确定孤立 Rh(302.163 +/- 0.003 eV)和 Pd(330.261 +/- 0.004 eV eV)原子的 3d(5/2)能级及其各自的体位移(4.367 和 4.359 eV)，同时细化了顶层(100)、(110)和(111)原子层的有效原子配位数(分别为 4.00、3.87 和 4.26)。进一步证实，欠配位原子之间较短且较强的键会导致局部应变和表层电荷和能量量子俘获，从而全局决定了核心能级结合能的正位移。
