2026-10-12T09:23:06Z https://www.scidb.cn/oai

10.57760/sciencedb.010dh 2026-09-01T06:55:46Z

2026-09-01 Dual Ohmic Contact Interface Engineering in TiO2/Ti3C2/CaIn2S4 Heterostructure for Enhanced and Selective Photocatalytic CO2-to-CH4 Conversion doi:10.57760/sciencedb.010dh en In this work, a ternary (001)-facet TiO₂/Ti₃C₂/CaIn₂S₄ (TO/TC/CIS) heterostructure with dual Ohmic‑contact interfaces is constructed to boost the photocatalytic CO₂ conversion performance. The interfaces formed at the TO/TC and CIS/TC junctions establish strong built‑in electric fields, driving the directional migration of photogenerated electrons from TO and CIS toward conductive TC. Consequently, charge recombination is effectively suppressed and the interfacial charge‑transfer kinetics are accelerated. Combined experimental characterizations and density functional theory (DFT) calculations verify that this dual‑interface architecture enables efficient charge separation.This dataset fully collects diverse raw measurement data of TiO₂/Ti₃C₂/CaIn₂S₄ and its reference materials, archived according to the figures presented in the original paper. The dataset consists of the graphical abstract schematic, catalyst synthesis scheme, X‑ray diffraction (XRD), SEM, TEM, photocatalytic CO₂ reduction activity, mass spectrometry, transient photocurrent responses, Nyquist plots of electrochemical impedance spectroscopy, UV‑vis diffuse reflectance spectra, Tauc plots, Mott‑Schottky curves, DFT‑calculated work functions, differential charge‑density distributions, current‑voltage (I‑V) characteristics, CO₂ adsorption isotherms, in‑situ diffuse reflectance infrared Fourier‑transform spectroscopy (DRIFTS), as well as DFT‑derived Gibbs free‑energy profiles for the CO₂ photoreduction pathway. Supporting files include Raman spectra, BET specific surface area measurements, X‑ray photoelectron spectroscopy (XPS), water contact‑angle tests, and so forth. All image files are saved in general bitmap/vector formats compatible with mainstream image‑analysis and processing software including ImageJ, Origin, XPS Peak Fit and Photoshop. No niche file formats are adopted, and relevant software can be downloaded from official legitimate channels, which facilitates data extraction, secondary analysis and research application for researchers.This dataset contains raw data, corresponding annotations and parameter information for all experimental figures in the research paper, while no tabular data are included. All involved measurement units are standard units commonly adopted in materials science and photocatalysis, such as length unit nm, energy unit eV, angle unit °, time units min/h, light‑intensity unit mW·cm⁻², molar‑concentration unit mol·L⁻¹ (M), and production‑rate unit μmol·g⁻¹·h⁻¹. During data acquisition, all instruments were professionally calibrated, and experimental operations strictly complied with standard protocols for material preparation and characterization. Key performance tests and characterization experiments were repeatedly verified. Data errors are confined within the conventional error range for material characterization, with no systematic errors. Minor random errors mainly originate from the intrinsic detection precision of instruments and tiny environmental fluctuations during experiments, which are acceptable and will not impair the overall data validity and research conclusions. Photocatalytic CO2 reduction; Dual Ohmic contact interfaces; Ti3C2 MXene; CaIn2S4; High energy faceted TiO2. Lv Kangle cheng cong EMBARGO https://creativecommons.org/licenses/by-nd/4.0 dataset Science Data Bank