Dataset for article Demonstrating the potential of versatile single-crystal spinel magnetic CoFe₂O₄-Ti₃C₂Tₓ MXene-based hybrid platforms for multifaceted nano-level separations in gas and liquid phases

____________________Dataset for article Demonstrating the potential of versatile single-crystal spinel magnetic CoFe₂O₄-Ti₃C₂Tₓ MXene-based hybrid platforms for multifaceted nano-level separations in gas and liquid phases ____________________ Last updated: 2026-01-13 DOI: 10.5281/zenodo.18232112 ______Contact______ * Karel Friess * [e-mail] * [phone] * ORCID: 0000-0002-1858-0555 * Dept. of Physical Chemistry. Faculty of Chemical Engineering, University of chemistry and Technology, Prague * Technicka 5, 166 28, Prague 6, Czech Republic ______Researcher______ * Name Surname: Saeed Ashtiani * [e-mail] * [phone] * ORCID: 0000-0002-9016-9410 * Dept. of Chemical Engineering. Faculty of Physical Chemistry, University of chemistry and Technology, Prague * Technicka 5, 166 28, Prague 6, Czech Republic ______Licence______ *Dataset for article Demonstrating the potential of versatile single-crystal spinel magnetic CoFe₂O₄-Ti₃C₂Tₓ MXene-based hybrid platforms for multifaceted nano-level separations in gas and liquid phases” 2025 by Saeed Ashtiani, Bing Wu, Mehdi Khoshnamvand, Josef Schneider, Jana Florekova, Jakub Regner, Payal Chauhan, Zdenek Sofer, Karel Friess is licensed under CC BY NC 4.0 *licence information: https://creativecommons.org/licenses/by-nc/4.0/ ------------------------------------------------------------------------------------------------ ______About the dataset______ A series of metal oxides was synthesized using hydrothermal methods. The salts and ions for the synthesis process were purchased as they are named and listed in the article. The polymer films were fabricated using NIPS method. The fabricated MMM were tested with different classical tests (XRD, FTIR, XPS, SEM, 3D Scan, TEM) and gas permeation method. ______Methods of data collection______ *More detailed description can be found in article: Ashtiani, S.; Wu, B.; Khoshnamvand, M.; Schneider, J.; Floreková, J.; Regner, J.; Chauhan, P.; Sofer, Z.; Friess, K. Demonstrating the potential of versatile single-crystal spinel magnetic CoFe₂O₄-Ti₃C₂Tₓ MXene-based hybrid platforms for multifaceted nano-level separations in gas and liquid phases. Chemical Engineering Journal Advances 2025, 24, 100937. DOI: https://doi.org/10.1016/j.ceja.2025.100937. *Sample preparation All the samples were collected in the form of powders (for metal oxides) and the flat sheet membrane (for MMM) to be analysed and more detailed description can be found in article: Ashtiani, S.; Wu, B.; Khoshnamvand, M.; Schneider, J.; Floreková, J.; Regner, J.; Chauhan, P.; Sofer, Z.; Friess, K. Demonstrating the potential of versatile single-crystal spinel magnetic CoFe₂O₄-Ti₃C₂Tₓ MXene-based hybrid platforms for multifaceted nano-level separations in gas and liquid phases. Chemical Engineering Journal Advances 2025, 24, 100937. DOI: https://doi.org/10.1016/j.ceja.2025.100937. * FT-IR spectroscopy: HW: a Nicolet iS50 FT-IR spectrometer (Thermo Scientific, Waltham, Massachusetts, USA); the sample of membrane was attached to the diamond surface and measured in ATR mode with DTGS detector *Gas separation (gas sorption and permeation): Sorption tests were performed gravimetrically using a custom-made apparatus with a McBain quartz spiral balance (sensitivity: 15.253 mg mm−1) placed on an anti-vibration table (Thor Labs) to minimize disturbances. The temperature (25 °C) was controlled using a heating unit (Bravo B 4273) and cooling system (Julabo F250). Experiments were conducted at pressures ranging from 0.1 to 0.5 MPa and 1 MPa, with 30–55 mg samples sealed in glass tubes and evacuated (<10−3 mbar) using a rotary pump (Trivac D4B, Oerlikon Leybold). Spiral elongation was recorded by a CCD (Sony). For gas permeation in a custom-built time lag permeation setup. A circular membrane with an active area of 2.01 × 10−4 m2 was cut and tightly enclosed into a permeation cell for gas permeation measurement. Prior to the sorption and gas permeation experiment, the membranes were kept overnight in a vacuum oven at 50 °C for complete dryness. Similarly, the permeation cell was constantly evacuated with a vacuum pump before each gas experiment to remove its gases. The synthesized membranes were subjected to the test gases, and the data were collected using the SWeTr version 1.13 (2003, Neovision) data acquisition software. * Fluorescence spectrophotometry (FS): HW: a Fluorescence Spectrophotometer (F-7000, Hitachi, Japan) * Profilometry: HW: the 3D non-contact optical surface profiler NewView 9000 (ZYGO, USA) * Scanning electron microscopy (SEM) and Energy-dispersive X-ray spectroscopy (EDX): HW: a SEM (Oxford Instruments, Hitachi S-4800, Japan) with EDX and a 150 mm2 with SDD detector The instrument operated at range of 10-25 kV during cross-sectional mapping. * Transmission electron microscopy (TEM) and Energy-dispersive X-ray spectroscopy (EDX): HW: a JEM-2200FS (Jeol, Japan) instrument Maintaining the accelerating voltage of 200.00 kV in the TEM imaging mode. * Thermogravimetric analysis (TGA): HW: an STA PT 700 LT device (Linseis, Germany) Apparatus with a heating rate of 10 °C min−1 in an N2 gas atmosphere (50 mL min−1). * X-ray photoelectron spectroscopy (XPS): HW: an ESCAProbeP spectrometer (Omicron Nanotechnology, Uppsala, Sweden) *X-ray diffraction (XRD): HW: a Bruker D8 Discoverer θ-θ diffractometer (Karlsruhe, Germany) with Bragg-Brentano geometry and Cu Kα radiation (λ = 0.15418 nm, U = 40 kV, I = 40 mA) Data were scanned at an angular range of 10–80° (2θ). ______Methods of data processing______ The dataset contains raw and processed data. The details regarding the processing are described in article: Ashtiani, S.; Wu, B.; Khoshnamvand, M.; Schneider, J.; Floreková, J.; Regner, J.; Chauhan, P.; Sofer, Z.; Friess, K. Demonstrating the potential of versatile single-crystal spinel magnetic CoFe₂O₄-Ti₃C₂Tₓ MXene-based hybrid platforms for multifaceted nano-level separations in gas and liquid phases. Chemical Engineering Journal Advances 2025, 24, 100937. DOI: https://doi.org/10.1016/j.ceja.2025.100937. ------------------------------------------------------------------------------------------------ ______File name structure_____ * PN_X_YYYYMMDD PN – project number (GACR-24-11041S) X – measurement method (DSC, FTIR, gassodsorption, permeation, FS, profilometer, SEM, EDX, TEM, TGA, XPS, XRD) YYYYMMDD – date of measurement (YYYY – year; MM – month; DD – date) * Example: GACR-24-11041S_FTIR_YYYYMMDD.ext ______File formats______ * FT-IR spectroscopy - original CSV + processed OPJU The raw and processed data. * Gas sorption + permeation – original XLSX + processed OPJU The folder contains raw and processed data. * Fluorescence Spectrophotometry (FS): original XLS + picture of nanoplastics TIF/JPG/PNG + description DOCX The folder contains raw and processed data. *Profilometer – original TIF The folder contains raw data. * Scanning electron microscopy (SEM) and Energy-dispersive X-ray spectroscopy (EDX) – original picture TIF (SEM) + original description of individual samples HDR (SEM) and original map DOCX (EDX) The folder contains raw data. * Transmission electron microscopy (TEM) and Energy-dispersive X-ray spectroscopy (EDX) – original TIF (TEM) + original DOCX (EDX) The folder contains raw data. * Thermogravimetric analysis (TGA): original XLS + TXT and processed PNG The folder contains the raw and processed data. * X-ray photoelectron spectroscopy (XPS): original VMS + original spectra TXT The folder contains raw data. * X-ray diffraction (XRD): original TXT + original ASC The folder contains raw data. ______Date formats______ * YYYY-MM-DD * HH-MM-SS 24hr format ______Units and abbreviations______ * All FTIR spectra are in Wavenumber (cm^-1) vs Absorbance (-) * All XRD spectra are in the 2θ (°) vs Intensity (a.u.) * All XPS spectra are in the kinetic energy (eV) vs CPS (counts per second) * All the TGA data are in the temperature degree oC. ______SW necessary to open files______ * FT-IR spectra in txt-ACS can be opened in Origine 2019 and processed OPJU using OriginPro 2019 (OriginLab Corporation). * Gas sorption + permeation data in OPJU can be opened in high score or OriginPro 2019 (OriginLab Corporation). * XRD spectra in CSV can be opened in high score or OriginPro 2019 (OriginLab Corporation).* TGA data can be open in Excel or Origine 2019 (OriginLab Corporation). *XPS data can be open with Casa XPS reader.本数据集对应论文《展示多功能单晶尖晶石型磁性CoFe₂O₄-Ti₃C₂Tₓ MXene基混合平台在气液相多维度纳米级分离中的应用潜力》。 最后更新：2026-01-13 DOI: 10.5281/zenodo.18232112 ## 联系人 * 卡雷尔·弗里斯（Karel Friess） * 邮箱：[e-mail] * 电话：[phone] * ORCID: 0000-0002-1858-0555 * 所属单位：布拉格化工技术大学化工学院物理化学系 * 地址：Technicka 5, 166 28, 布拉格6区, 捷克共和国 ## 研究者 * 姓名：赛义德·阿什蒂亚尼（Saeed Ashtiani） * 邮箱：[e-mail] * 电话：[phone] * ORCID: 0000-0002-9016-9410 * 所属单位：布拉格化工技术大学物理化学学院化学工程系 * 地址：Technicka 5, 166 28, 布拉格6区, 捷克共和国 ## 许可协议 本数据集对应2025年发表的论文《展示多功能单晶尖晶石型磁性CoFe₂O₄-Ti₃C₂Tₓ MXene基混合平台在气液相多维度纳米级分离中的应用潜力》，作者为Saeed Ashtiani、Bing Wu、Mehdi Khoshnamvand、Josef Schneider、Jana Florekova、Jakub Regner、Payal Chauhan、Zdenek Sofer、Karel Friess，采用CC BY-NC 4.0许可协议进行授权。 许可协议信息：https://creativecommons.org/licenses/by-nc/4.0/ ## 数据集概况 本研究通过水热法合成了一系列金属氧化物，合成所用盐类与离子均按论文中列明的名称直接采购。采用非溶剂致相分离法（Non-solvent Induced Phase Separation, NIPS）制备聚合物膜，所制备的混合基质膜（Mixed Matrix Membrane, MMM）通过多种经典表征手段进行测试：X射线衍射（XRD）、傅里叶变换红外光谱（FTIR）、X射线光电子能谱（XPS）、扫描电子显微镜（SEM）、三维扫描、透射电子显微镜（TEM）以及气体渗透法。 ## 数据收集方法 详细的实验与数据收集流程可参见下述论文： Ashtiani, S.; Wu, B.; Khoshnamvand, M.; Schneider, J.; Floreková, J.; Regner, J.; Chauhan, P.; Sofer, Z.; Friess, K. Demonstrating the potential of versatile single-crystal spinel magnetic CoFe₂O₄-Ti₃C₂Tₓ MXene-based hybrid platforms for multifaceted nano-level separations in gas and liquid phases. Chemical Engineering Journal Advances 2025, 24, 100937. DOI: https://doi.org/10.1016/j.ceja.2025.100937. ### 样品制备 所有样品以粉末（金属氧化物）和平板膜（混合基质膜）形式收集以供分析，详细制备流程可参见上述论文。 ### 傅里叶变换红外光谱（FT-IR） 测试仪器：Nicolet iS50傅里叶变换红外光谱仪（Thermo Scientific，美国马萨诸塞州沃尔瑟姆）；将膜样品附着于金刚石表面，采用衰减全反射（Attenuated Total Reflection, ATR）模式搭配DTGS检测器进行测试。 ### 气体分离（气体吸附与渗透） 吸附测试采用定制装置，搭载McBain石英螺旋天平（灵敏度：15.253 mg·mm⁻¹），置于Thor Labs防振平台上以减少外界干扰。实验温度（25℃）通过加热单元（Bravo B 4273）与冷却系统（Julabo F250）精准控制。实验压力范围为0.1~0.5 MPa及1 MPa，将30~55 mg样品密封于玻璃管中，使用旋转泵（Trivac D4B，欧瑞康莱宝）抽真空至<10⁻3 mbar。螺旋伸长量通过索尼CCD相机记录。 气体渗透测试采用定制时间滞后渗透装置：将有效面积为2.01×10⁻4 m²的圆形膜片切割后，紧密密封于渗透池内开展气体渗透测量。实验前，膜片需置于50℃真空烘箱中过夜干燥以完全脱除溶剂；每次气体实验前，渗透池也需持续抽真空以去除内部残留气体。将合成后的膜片置于测试气体中，采用SWeTr 1.13版（2003，Neovision）数据采集软件收集实验数据。 ### 荧光分光光度法（FS） 测试仪器：F-7000荧光分光光度计（日立，日本）。 ### 表面轮廓测试 测试仪器：NewView 9000型三维非接触式光学表面轮廓仪（ZYGO，美国）。 ### 扫描电子显微镜（SEM）与能量色散X射线光谱（EDX） 测试仪器：搭载EDX探测器与150 mm²硅漂移探测器（SDD）的Oxford Instruments Hitachi S-4800扫描电子显微镜（日本），截面成像时加速电压设置为10~25 kV。 ### 透射电子显微镜（TEM）与能量色散X射线光谱（EDX） 测试仪器：JEM-2200FS型透射电子显微镜（日本电子，日本），TEM成像模式下加速电压为200.00 kV。 ### 热重分析（TGA） 测试仪器：STA PT 700 LT热分析装置（Linseis，德国），在氮气气氛（流量50 mL·min⁻¹）下以10 ℃·min⁻¹的升温速率进行测试。 ### X射线光电子能谱（XPS） 测试仪器：ESCAProbeP光谱仪（Omicron Nanotechnology，瑞典乌普萨拉）。 ### X射线衍射（XRD） 测试仪器：Bruker D8 Discoverer θ-θ衍射仪（德国卡尔斯鲁厄），配置Bragg-Brentano几何结构与Cu Kα辐射（λ=0.15418 nm，工作电压40 kV，电流40 mA），扫描角度范围为10~80°（2θ）。 ## 数据处理方法 本数据集包含原始数据与处理后数据，详细的数据处理流程可参见上述论文。 ## 文件名命名规则 文件命名格式为：PN_X_YYYYMMDD - PN：项目编号（GACR-24-11041S） - X：测试方法（DSC、FTIR、气体吸附、渗透、FS、轮廓仪、SEM、EDX、TEM、TGA、XPS、XRD） - YYYYMMDD：测试日期（YYYY为年份，MM为月份，DD为日期） 示例：GACR-24-11041S_FTIR_YYYYMMDD.ext ## 文件格式 - 傅里叶变换红外光谱（FT-IR）：原始CSV文件+处理后的OPJU文件，包含原始与处理后数据。 - 气体吸附+渗透测试：原始XLSX文件+处理后的OPJU文件，文件夹包含原始与处理后数据。 - 荧光分光光度法（FS）：原始XLS文件+纳米塑料图片（TIF/JPG/PNG格式）+描述文档（DOCX格式），文件夹包含原始与处理后数据。 - 表面轮廓测试：原始TIF文件，文件夹仅包含原始数据。 - 扫描电子显微镜（SEM）与能量色散X射线光谱（EDX）：原始SEM图片（TIF格式）+单个样品的SEM原始描述（HDR格式）+EDX原始图谱文档（DOCX格式），文件夹仅包含原始数据。 - 透射电子显微镜（TEM）与能量色散X射线光谱（EDX）：原始TEM图片（TIF格式）+EDX原始文档（DOCX格式），文件夹仅包含原始数据。 - 热重分析（TGA）：原始XLS+TXT文件+处理后的PNG文件，文件夹包含原始与处理后数据。 - X射线光电子能谱（XPS）：原始VMS文件+原始光谱TXT文件，文件夹仅包含原始数据。 - X射线衍射（XRD）：原始TXT+ASC文件，文件夹仅包含原始数据。 ## 日期格式 - YYYY-MM-DD - HH-MM-SS（24小时制） ## 单位与缩写规范 - 所有FTIR光谱以波数（cm⁻¹）为横坐标、吸光度（无量纲，-）为纵坐标。 - 所有XRD光谱以2θ角度（°）为横坐标、强度（任意单位，a.u.）为纵坐标。 - 所有XPS光谱以动能（eV）为横坐标、每秒计数（CPS）为纵坐标。 - 所有TGA数据以温度（℃）为单位。 ## 所需打开软件 - FTIR光谱的txt-ACS格式文件可使用Origin 2019打开，处理后的OPJU文件可使用OriginPro 2019（OriginLab Corporation）进行处理。 - 气体吸附与渗透测试的OPJU文件可使用HighScore或OriginPro 2019打开。 - XRD光谱的CSV文件可使用HighScore或OriginPro 2019打开。 - TGA数据可使用Excel或Origin 2019打开。 - XPS数据可使用Casa XPS Reader打开。