Dataset DOI: 10.5061/dryad.6wwpzgncd

Description of the data and file structure

This is the raw data of adz7504, including all the figures and related data in the main text, as well as the data in Supplementary Materials. The raw data mainly includes catalytic performance related data and test characterization, etc.

Files and variables

Usage notes:

TThe following is a list of the different data types by file suffix included in this repository along with brief descriptions for how to work with them.

.csv: CSV (Comma-Separated Values): A universal format for storing tabular data in plain text, with values separated by commas and the first row typically containing column headers. It can be directly opened and edited using spreadsheet software like Excel or Google Sheets, or viewed in text editors, and is suitable for data exchange and simple data storage.

Overview of Raw Data CSV. Sheets

This document provides an overview of the experimental data contained within the accompanying Excel file(s). The data spans three key dimensions: catalyst performance, structural characterization, and reaction mechanism investigation. Below are descriptions of each worksheet, including its core information, axis definitions (X and Y), and primary use.

1.Catalyst.csv

Core Info: Records the photocatalytic performance of different catalysts under various conditions, including thermal reactions (Heat 100~400 °C), control experiments without light (no light), and concentrated sunlight experiments. Entries marked as "------" indicate no measurement was taken.

X-axis (Columns): A: Catalyst Name, B: Light Intensity (W/cm²), C: Space Velocity (mL·g⁻¹·h⁻¹), D: CH₄ Yield (mmol·g⁻¹·h⁻¹), E: CO Yield (mmol·g⁻¹·h⁻¹), F: CO₂ Conversion (%)

Y-axis (Rows): Each row corresponds to a unique set of experimental conditions.

 2.XRD.csv

Core Info:Contains X-ray diffraction data for different catalysts and reference samples. Intensity is in arbitrary units (a.u.).

Format: Every two columns correspond to one sample (e.g.,NSO（A&B）, NNSO（C&D）. 1.0%Mn/NNSO(E&F), 1.2%Mn/NNSO(G&H) , 0.8%Mn/NNSO(I&J) 0.6%Mn/NNSO(K&L) 1.2%Mn/NNSO(Ni removl)(G&H),Each pair lists the 2θ angle and the corresponding diffraction intensity.

X-axis (Rows): Diffraction Angle (2θ, degrees)

Y-axis (Data Columns):Diffraction Intensity (a.u.)

3.EPR.csv

Core Info: Records the signal intensity of NNSO samples with different Mn doping concentrations as a function of the g‑value in Electron Paramagnetic Resonance (EPR) spectroscopy. The g‑value reflects the resonant magnetic field position and is used to characterize the electronic structure and local environment of paramagnetic centers (such as Mn ions).

X‑axis (Columns): g‑value (dimensionless), corresponding to the resonant magnetic field position.

Y‑axis (Rows): Signal intensity (Intensity, a.u.), reflecting the relative concentration or response strength of paramagnetic centers.

Sample Columns: Each sample consists of a pair of g‑value and intensity columns, totaling five samples:1.0% Mn/NNSO (g value & Intensity)

NNSO (g value & Intensity)

0.6% Mn/NNSO (g value & Intensity)

0.8% Mn/NNSO (g value & Intensity)

1.2% Mn/NNSO (g value & Intensity)

4.Hgsteresis_loop_plots.csv

Core Info:Records the magnetization of NNSO samples with different Mn doping concentrations as a function of the applied magnetic field, covering a wide range from high negative to high positive fields.

X-axis (Columns):Applied Magnetic Field (Field, kOe)

Y-axis (Rows): Magnetization (M, emu/g)

Sample Columns:1.0%Mn/NNSO(A&B), NNSO(C&D), 1.2%Mn/NNSO(E&F), 0.8%Mn/NNSO(G&H)

5.CO2_adsorption_.csv

Core Info: Measures the CO₂ adsorption capacity of NNSO samples with different Mn doping concentrations, spanning low to high relative pressure ranges.

X-axis (Columns): Relative Pressure (P/P₀)

Y-axis (Rows): Adsorption Amount (cm³/g STP)

Sample Columns: Includes 1.0%Mn/NNSO(A&B), NNSO(C&D), 0.8%Mn/NNSO(E&F), 1.2%Mn/NNSO(G&H), 0.6%Mn/NNSO(I&J).

6.CO-TPD.csv

Core Info: Measures the CO desorption behavior of NNSO samples with different Mn doping concentrations, containing numerous temperature-intensity data points.

X-axis (Columns):Temperature (°C)

Y-axis (Rows):Signal Intensity (a.u.)

Sample Columns:NNSO(A&B), 1.0%Mn/NNSO(C&D), 0.8%Mn/NNSO(E&F), 0.6%Mn/NNSO(G&H), 1.2%Mn/NNSO(I&J).

7.Dynamic_isotope_study.csv

Core Info: Investigates the variation in methane formation rate over time under two different atmospheres: D₂:CO₂=4:1 and H₂:CO₂=4:1.

X-axis (Columns):Reaction Time (min)

Y-axis (Rows):Methane Formation Rate (rCH₄, mol·g⁻¹·h⁻¹)

Sample Columns: Columns A & B: D₂:CO₂=4:1 atmosphere; Columns C & D: H₂:CO₂=4:1 atmosphere.

8.In_situ_Rama.csv

Core Info:Tracks spectral changes for NNSO and 1.0%Mn/NNSO at 0, 3, 6, 9, 15, 20, 25, and 30 minutes of light irradiation. Wavenumbers start from 50 cm⁻¹ and increase.

Format (Columns): Left section (Columns A-P): NNSO sample, where every two columns correspond to the wavenumber and intensity at a specific time point. Right section (Columns Q-AE): 1.0%Mn/NNSO sample, with the same two-column-per-time-point structure.

Y-axis (Rows):Rows 5 and below contain intensity values corresponding to different wavenumbers.

9.In_stiu_infrard.csv

Core Info:Records infrared spectral data for NNSO and 1.0%Mn/NNSO during 0-30 minutes of light irradiation. Wavenumbers start from approximately 650 cm⁻¹.

Format (Columns):Columns A-R: NNSO sample (every two columns for a time point's wavenumber & intensity). Columns S-AE: 1.0%Mn/NNSO sample (every two columns for a time point's wavenumber & intensity, listed in reverse chronological order).

Y-axis (Rows): Absorption intensity values for different wavenumbers.

10.FTIR.csv

Core Info: Records the absorbance of NNSO and 1.0%Mn/NNSO in the mid-infrared region, with a wavenumber interval of ~2 cm⁻¹.

X-axis (Columns):Column A: Wavenumber (cm⁻¹)

Y-axis (Rows): Column B: NNSO Intensity (a.u.); Column C: 1.0%Mn/NNSO Intensity (a.u.)

11.TPSR.csv

Core Info: Compares the mass spectrometry signal changes for NSO(A&B), NNSO(C&D), and 1.0%Mn/NNSO(E&F) samples during a temperature-programmed process.

X-axis (Columns): Columns A, C, E: Temperature (°C)

Y-axis (Rows): Column B: NSO MS Signal (a.u.); Column D: NNSO MS Signal (a.u.); Column F: 1.0%Mn/NNSO MS Signal (a.u.)

12.Raman.csv

Core Info: Compares Raman spectra of NNSO(A&B) and 1.0%Mn/NNSO(C&D) samples, covering a wavenumber range from 50 to 3500 cm⁻¹.

X-axis (Columns):Column A: NNSO Wavenumber (cm⁻¹); Column C: 1.0%Mn/NNSO Wavenumber (cm⁻¹)

Y-axis (Rows): Column B: NNSO Intensity (a.u.); Column D: 1.0%Mn/NNSO Intensity (a.u.)

13.CO2-TPD.csv

Core Info:Contains duplicate test data for the 1.0%Mn/NNSO (A&B) , NNSO (C&D)sample, covering a temperature range from 50 to 275 °C.

X-axis (Columns):Temperature (°C)

Y-axis (Rows): Signal Intensity (a.u.)

14.UV-VIS.csv

Core Info: Presents UV-Vis absorption spectra for 1.0%Mn/NNSO, NNSO, and NSO samples, covering wavelengths from 200 to 2500 nm.

X-axis (Columns):Wavelength (nm)

Y-axis (Rows): Absorbance (a.u.)

Sample Columns: Every two columns correspond to one sample, in the order: 1.0%Mn/NNSO(A&B), NNSO(C&D), NSO(E&F).

15_.Performance_comparison.csv

Core Info:Compares the methane yield of various catalysts, sorted from highest to lowest yield.

X-axis (Columns):Column A: Serial Number

Y-axis (Rows): Catalyst Name, CH₄ Yield (mmol·g⁻¹·h⁻¹)

16.XPS.1.0_Mn-NNSO_Mn2p25℃.csv

BE_25.datBinding Energy (eV). The x-axis coordinate, used to determine the chemical state of elements.

CPS_25.dat: Raw Signal Intensity (Counts Per Second). The y-axis coordinate, representing the untreated experimental measurement spectrum.

1_1_25.dat, 1_2_25.dat, 1_3_25.dat: Fitted Peak Components. The fitted curve data representing different chemical states after deconvoluting the raw spectrum.

Background_25.dat: Background Signal. The fitted baseline used for subtraction from the raw signal.

17.XPS.1.0_Mn-NNSO_Mn2p120℃.csv

BE_120.dat: Binding Energy (eV). The x-axis coordinate.

CPS_120.dat: Raw Signal Intensity (Counts Per Second). The y-axis coordinate, representing the untreated experimental spectrum.

1_1_120.dat, 1_2_120.dat, 1_3_120.dat: Fitted Peak Components. Data for the fitted curves representing different chemical states of the Mn 2p spectrum.

Background_120.dat: Background Signal. The fitted baseline.

18.XPS.1.0_Mn-NNSO_Mn2p240℃.csv

BE_240.dat: Binding Energy (eV). The x-axis coordinate.

CPS_240.dat: Raw Signal Intensity (Counts Per Second). The y-axis coordinate, representing the untreated experimental spectrum.

1_1_240.dat, 1_2_240.dat, 1_3_240.dat: Fitted Peak Components. Data for the fitted curves representing different chemical states (e.g., different manganese oxidation states) of the Mn 2p spectrum.

Background_240.dat: Background Signal. The fitted baseline.

19.XPS1.0_Mn-NNSO_Mn2p360℃.csv

BE_360.dat: Binding Energy (eV). The x-axis coordinate.

CPS_360mn.dat: Raw Signal Intensity (Counts Per Second). The y-axis coordinate, representing the untreated experimental spectrum.

1_1_360mn.dat, 1_2_360mn.dat, 1_3_360mn.dat: Fitted Peak Components. Data for the fitted curves representing different chemical states of the Mn 2p spectr

Background_360mn.dat: Background Signal. The fitted baseline.

20.XPS.1.0_Mn-NNSO_Mn2p.csv

BE_Mn 2p/5: Binding Energy (eV). The x-axis coordinate.

CPS_Mn 2p/5: Raw Signal Intensity (Counts Per Second). The y-axis coordinate, representing the untreated experimental spectrum.

Mn 2p_1_Mn 2p/5, Mn 2p_2_Mn 2p/5, Mn 2p_3_Mn 2p/5: Fitted Peak Components. Data for the fitted curves representing different chemical states (e.g., different oxidation states) after peak deconvolution of the Mn 2p spectrum.

Background_Mn 2p/5: Background Signal. The fitted baseline.

21.XPS.1.0_Mn-NNSO_Ni2P.csv

BE_Ni 2p/19: Binding Energy (eV). The x-axis coordinate.

 CPS_Ni 2p/19: Counts Per Second corresponding to the Ni 2p orbital, representing the intensity of detected photoelectron signals, which is related to element content and detection sensitivity.

 Ni 2p_1~Ni 2p_6_Ni 2p/19: Peak-fitting data of the Ni 2p orbital (6 sub-peaks in total), used to decompose overlapping characteristic peaks in the Ni 2p spectrum, corresponding to the signal contributions of Ni in different chemical states (e.g., Ni²⁺, Ni³⁺, or states bonded with other elements).

d. Background_Ni 2p/19: Background Signal. The fitted baseline.

22.XPS.1.0_Mn-NNSO_O1S.csv

BE_O 1s/9: O 1s orbital binding energy

 CPS_O 1s/9: O 1s orbital counts per second (photoelectron signal intensity, correlated with O content and detection sensitivity)

O 1s_1~O 1s_5_O 1s/9: O 1s orbital peak-fitting data (5 sub-peaks, decomposing signals of O in different chemical environments)

Background_O 1s/9: O 1s orbital background signal

23.XPS.after_cycling1.0_Mn-NNSO_Mn2p.csv

 BE_Mn 2p/5: Mn 2p orbital binding energy

 CPS_Mn 2p/7: Mn 2p orbital counts per second

Mn 2p_1~Mn 2p_3_Mn 2p/7: Mn 2p orbital peak-fitting data (3 sub-peaks, decomposing signals of manganese in different chemical environments)

 Background_Mn 2p/7: Mn 2p orbital background signal

24.XPS.1.0_NNSO_Ni2p.csv

 BE_Ni 2p/19: Ni 2p orbital binding energy

CPS_Ni 2p/19: Ni 2p orbital counts per second (photoelectron signal intensity, correlated with nickel content and detection sensitivity)

 Ni 2p_1~Ni 2p_6_Ni 2p/19: Ni 2p orbital peak-fitting data (6 sub-peaks, decomposing signals of nickel in different chemical environments)

 Background_Ni 2p/19: Ni 2p orbital background signal

25.XPS1.0_NNSO_O1S.csv

BE_O 1s/6: O 1s orbital binding energy (core XPS index, reflecting the chemical state of oxygen)

 CPS_O 1s/6: O 1s orbital counts per second (photoelectron signal intensity, correlated with oxygen content and detection sensitivity)

O 1s_1~O 1s_3_O 1s/6: O 1s orbital peak-fitting data (3 sub-peaks, decomposing signals of oxygen in different chemical environments)

 Background_O 1s/6: O 1s orbital background signal

26.XPS.after_cycling1.0_Mn-NNSO_C1S.csv

 BE_C 1s/4: C 1s orbital binding energy

 CPS_C 1s/4: C 1s orbital counts per second (photoelectron signal intensity, correlated with carbon content and detection sensitivity)

C-C_1_C 1s/4: Peak-fitting data for C-C bond in C 1s orbital (one of the sub-peaks, corresponding to the signal of single-bonded carbon)

C 1s_2_C 1s/4: Second sub-peak of C 1s orbital (peak-fitting data for other carbon chemical states)

 C=C_3_C 1s/4: Peak-fitting data for C=C bond in C 1s orbital (one of the sub-peaks, corresponding to the signal of double-bonded carbon)

 C-O_4_C 1s/4: Peak-fitting data for C-O bond in C 1s orbital (one of the sub-peaks, corresponding to the signal of oxygen-bonded carbon)

Background_C 1s/4: C 1s orbital background signal

27.XPS.fresh1.0_Mn-NNSO_C1S.csv

BE_C 1s/7: C 1s orbital binding energy (core XPS index, reflecting the chemical state of carbon)

 CPS_C 1s/7: C 1s orbital counts per second (photoelectron signal intensity, correlated with carbon content and detection sensitivity)

 C 1s_1~C 1s_3_C 1s/7: C 1s orbital peak-fitting data (3 sub-peaks, decomposing signals of carbon in different chemical environments)

Background_C 1s/7: C 1s orbital background signal

28.XPS.fresh1.0_Mn-NNSO_Mn2p.csv

 BE_Mn 2p/5: Mn 2p orbital binding energy

 CPS_Mn 2p/5: Mn 2p orbital counts per second (photoelectron signal intensity, correlated with manganese content and detection sensitivity)

 Mn 2p_1~Mn 2p_3_Mn 2p/5: Mn 2p orbital peak-fitting data (3 sub-peaks, decomposing signals of manganese in different chemical environments)

 Background_Mn 2p/5: Mn 2p orbital background signal

Code/software

The software required for this raw data includes CSV.

Access information

Other publicly accessible locations of the data:

No other accessible location.

Data was derived from the following sources:

The raw data comes from experiments and testing analysis.