This README.txt file was generated on <20210705> by <Yiang Fan>



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GENERAL INFORMATION
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1. Title of Dataset:
Supporting data for “Catalytic degradation of organic pollutants by oxysulfur radicals using transition metal-based catalysts”


2. Author Information
<create a new entry for each additional author>

First Author Contact Information
    Name: Yiang Fan	
    Faculty: Faculty of Engineering
    Email: fanyiang@connect.hku.hk



Corresponding Author Contact Information
    Name: N/A
    Faculty:N/A
    Email:N/A


Author Contact Information (if applicable)
    Name:N/A
    Faculty:N/A
    Email:N/A


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DATA & FILE OVERVIEW
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Directory of Files:dataset for thesis
   A. Filename: XRD results       
      Short description:  The XRD data for materials that used in thesis and the results of Rietveld refinements.      


        
   B. Filename: XPS       
      Short description:  The XPS results with high-resolution deconvolution of certain elements.      


        
   C. Filename:  theoretical calculation      
      Short description: The results obtained from VASP to describe the geometric optimization of materials and the transition state for PMS activation.


Additional Notes on File Relationships, Context, or Content 
(for example, if a user wants to reuse and/or cite your data, 
what information would you want them to know?):   N/A           




File Naming Convention: N/A




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DATA DESCRIPTION FOR: [FILENAME]
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<create sections for each dataset included>


1. Number of variables:N/A


2. Number of cases/rows: N/A


3. Missing data codes:N/A
        Code/symbol        Definition
        Code/symbol        Definition


4. Variable List



    A. Name: <N/A>
       Description: <N/A>
                    Value labels if appropriate


    B. Name: <N/A>
       Description: <N/A>
                    Value labels if appropriate

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METHODOLOGICAL INFORMATION
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1. Software-specific information:
<create a new entry for each qualifying software program>

Name: VASP
Version:5.4.4
System Requirements:Linux
Open Source? (Y/N): N

(if available and applicable)
Executable URL:
Source Repository URL:
Developer:
Product URL:
Software source components:


Additional Notes(such as, will this software not run on 
certain operating systems?): The software should run on Linux system, and it cannot run on Windows or MacOS system.




2. Equipment-specific information:
<create a new entry for each qualifying piece of equipment>

Manufacturer:N/A
Model:N/A

(if applicable)
Embedded Software / Firmware Name:N/A
Embedded Software / Firmware Version:N/A
Additional Notes:N/A