Real-space investigation of polarons in hematite Fe2O3
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下载链接:
https://zenodo.org/record/13903369
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资源简介:
Data_Fig1: Tables with measured values of LCPD for plots in Figure 1. Raw data files for STM/AFM images..Data_Fig3: Tables with the measured values of LCPDData_Fig4: Tables with the measured values of LCPDDFT_coordinateFiles.rar: Coordinate files for all computed structuresKMC_nearestNeighbour.zip KMC_OffLattice.zip: source codes for the Kinetic Monte Carlo simulations
Data_Fig1:包含图1中各绘图的局部接触电势差(Local Contact Potential Difference,以下简称LCPD)实测值表格,以及扫描隧道显微镜/原子力显微镜(Scanning Tunneling Microscope/Atomic Force Microscope,以下简称STM/AFM)图像的原始数据文件。
Data_Fig3:包含LCPD实测值的表格
Data_Fig4:包含LCPD实测值的表格
DFT_coordinateFiles.rar:所有计算所得结构的坐标文件
KMC_nearestNeighbour.zip、KMC_OffLattice.zip:动力学蒙特卡洛(Kinetic Monte Carlo,以下简称KMC)模拟所用的源代码
创建时间:
2024-10-08



