Janus Mn single atoms for triggering efficient photothermal catalytic CO2 methanation through spin polarization effect

Photothermal catalysis, using sunlight as single energy source, is an ideal pattern for CO2 reduction. Herein, Mn single atoms (SAs) are constructed on the surface of NNSO, which induces spin polarization effect, thus promoting directional transfer of photothermal electrons, and improving electron density of Mn sites and adsorption ability of CO2. Meanwhile, Mn SAs act as new active sites enhancing the adsorption of intermediate *CO, thus suppressing CO production, lowering energy barriers of hydrogenation and changing the reaction path. Additionally, the hydrogen overflow energy barriers decrease under the effect of spin polarization, promoting the rapid transfer of active H from Ni atoms to Mn SAs. Resultly, the rate of CO2 methanation is 195.7 mmol g−1 h−1 with near-unity selectivity, and the catalytic activity of 1.0%Mn/NNSO increases by approximately 140 times compared with NNSO. This is the first study that spin polarization effect is utilized to achieve efficient photothermal CO2..., , , # Janus Mn single atoms for triggering efficient photothermal catalytic CO2 methanation through spin polarization effect Dataset DOI: [10.5061/dryad.6wwpzgncd](https://doi.org/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 suita...以太阳光作为唯一能源的光热催化是实现二氧化碳（CO₂）还原的理想路径。本研究在NNSO表面构建了锰单原子（Mn single atoms, SAs），该体系可诱导自旋极化效应，进而促进光热电子的定向迁移，提升锰位点的电子密度与CO₂吸附能力。同时，锰单原子作为新型活性位点，强化了中间产物*CO的吸附，从而抑制一氧化碳（CO）生成、降低加氢能垒并改变反应路径。此外，在自旋极化效应的作用下，氢溢流能垒得以降低，促进活性氢从镍（Ni）原子快速转移至锰单原子位点。最终，CO₂甲烷化反应速率可达195.7 mmol g⁻¹ h⁻¹，选择性接近100%；与纯NNSO相比，1.0%Mn/NNSO的催化活性提升了约140倍。本研究首次利用自旋极化效应实现高效光热催化CO₂还原…… # 《Janus型锰单原子通过自旋极化效应触发高效光热催化CO₂甲烷化》 数据集DOI: [10.5061/dryad.6wwpzgncd](https://doi.org/10.5061/dryad.6wwpzgncd) ## 数据与文件结构说明 本数据集为adz7504的原始数据，包含正文内所有图表及相关数据，以及补充材料中的全部数据。原始数据主要涵盖催化性能相关数据与测试表征数据等。 ### 文件与变量 #### 使用说明： 下文按文件后缀分类列出本数据集仓库中包含的不同数据类型，并附简要操作说明。 .csv：逗号分隔值（Comma-Separated Values, CSV）：一种通用的纯文本表格数据存储格式，数据以逗号分隔，首行通常包含列标题。该格式可直接通过Excel、Google Sheets等表格软件打开编辑，亦可在文本编辑器中查看，适用于……