金属硫化物表征结果数据集

金属硫化物表征结果数据集包含了XRD，XPS，TEM，Raman，XAS表征数据，以及DFT计算数据。表征分析的样品主要为金属硫化物催化剂及其合成过程中的前驱体和中间体，DFT计算对象为催化剂表面构型及吸附构型。相关数据的测试时间范围为2019年4月至2023年3月，其中XRD/XPS/Raman的检测基于天津大学分析测试中心平台，TEM测试依托中科院大连化学物理研究所，XAS的测试依托于上海同步辐射中心，DFT计算依托于深圳华算科技公司。

The metal sulfide characterization dataset encompasses XRD, XPS, TEM, Raman, XAS characterization data, alongside DFT calculation data. The samples subjected to characterization analysis are primarily metal sulfide catalysts, as well as their precursors and intermediates obtained during the synthesis process. The objects of the DFT calculations are the surface configurations and adsorption configurations of the catalysts. The testing timeline for the relevant data spans from April 2019 to March 2023. Specifically, XRD, XPS and Raman detections were carried out on the platform of the Analytical and Testing Center of Tianjin University; TEM tests were conducted relying on the Dalian Institute of Chemical Physics, Chinese Academy of Sciences; XAS tests were supported by the Shanghai Synchrotron Radiation Center; and DFT calculations were performed by Shenzhen Huasuan Technology Co., Ltd.

搜集汇总

背景与挑战

背景概述

该数据集包含金属硫化物催化剂的XRD、XPS、TEM、Raman、XAS表征数据及DFT计算数据，涵盖2019年4月至2023年3月的测试结果，数据格式多样，适用于催化化学和材料化学研究。