Data for: High surface area perovskite materials as functional catalyst supports for glycerol oxidation

A series lanthanum perovskite supports (LaBO₃, where B = Cr, Mn, Fe, Co and Ni) were synthesised using a hard templating methodology with a mesoporous silica template (SBA-15). This methodology produced high surface area perovskites with surface areas of 70-160 m² g^-1. 1 wt% AuPt was added to the perovskite supports using sol immobilisation and the resultant catalysts tested for the oxidation of glycerol. When the AuPt/LaBO₃ catalysts were tested for glycerol oxidation the product distributions via either the oxidation mechanism or a dehydration mechanism could be tuned by substituting different transition metals in the B site. In line with previous studies, AuPt/LaMnO₃ and AuPt/LaCoO₃ gave the highest yield of oxidation products (glyceric acid with small amounts of tartronic acid), AuPt/LaCrO₃ gave the highest yield of lactic acid through the dehydration pathway, while AuPt/LaNiO₃ and AuPt/LaFeO₃ gave a mixture of products from both the oxidation and dehydration pathways. The product distributions were found to change over the course of the reaction due to the relative rates of the two reaction pathways. For all catalysts except AuPt/LaMnO₃ the yield of oxidation products stopped after two hours, while all catalysts except AuPt/LaMnO₃ continued to produce lactic acid over the whole reaction. This suggests the porovskite supported catalysts are not stable over the course of the reaction. The most interesting behaviour was found for the AuPt/LaFeO₃ catalyst that gave a high initial selectivity to tartronic acid, although further studies are needed to elucidate the mechanism fully.The data file contains X-ray diffraction data, thermal gravimetric analysis and ammonia temperature programmed desorption data for the perovskite supports, and electron microscopy and catalyst testing data for the AuPt/LaBO₃ catalysts.X-ray diffraction data is given as intensity versus 2 theta in degrees for the perovskites supports: LaCrO₃, LaMnO₃, LaFeO₃, LaCoO₃, LaNiO₃.For the catalyst testing: Conversion of glycerol is given as a percentage<br>For the catalyst testing: <br>Conversion of glycerol is given as a percentageSelectivity to products is given as a percentageCarbon mass balance is given as a percentage of the total moles of carbon before the reaction/total carbon after reaction x 100The amount of the products formed is given in mmolProduct abbreviations used are: <br>GA = Glyceric acid<br>TA = Tartronic acid<br>LA = Lactic acid<br>C-C scission = C1 and C2 products<br>Reaction conditions: glycerol (0.3 M), NaOH: substrate ratio (4:1), O2 (3 bar), substrate:metal ratio =1000, 100 ◦C.

本研究采用硬模板法（hard templating methodology），以介孔二氧化硅模板SBA-15为模板，合成了一系列镧基钙钛矿（perovskite）载体（LaBO₃，其中B位元素为Cr、Mn、Fe、Co、Ni）。该方法制备得到的钙钛矿载体比表面积可达70~160 m²·g⁻¹。采用溶胶固定化法（sol immobilisation）将1 wt%的AuPt双金属负载至上述钙钛矿载体上，得到的负载型催化剂用于甘油氧化反应性能测试。
当对AuPt/LaBO₃型催化剂进行甘油氧化测试时，通过调变B位过渡金属种类，可改变反应经氧化路径或脱水路径生成产物的分布。与已有研究结果一致，AuPt/LaMnO₃与AuPt/LaCoO₃催化剂的氧化产物收率最高，主要产物为甘油酸，伴随少量酒石酸；AuPt/LaCrO₃催化剂经脱水路径生成乳酸的收率最高；而AuPt/LaNiO₃与AuPt/LaFeO₃催化剂则同时生成氧化路径与脱水路径的混合产物。
研究发现，由于两条反应路径的相对速率差异，反应过程中产物分布会发生动态变化。除AuPt/LaMnO₃外，其余所有催化剂的氧化产物收率均在反应2小时后趋于停滞；而除AuPt/LaMnO₃外的其余催化剂在整个反应过程中均可持续生成乳酸。上述结果表明，钙钛矿负载型催化剂在反应过程中稳定性欠佳。
其中AuPt/LaFeO₃催化剂表现出最引人关注的反应行为：其初始阶段对酒石酸具有较高的选择性，不过仍需开展进一步研究以完全阐明该反应的具体机制。
本数据集包含钙钛矿载体的X射线衍射（X-ray diffraction, XRD）数据、热重分析（thermal gravimetric analysis, TGA）数据以及氨程序升温脱附（ammonia temperature programmed desorption, NH₃-TPD）数据，同时包含AuPt/LaBO₃型催化剂的电子显微镜表征数据与催化剂性能测试数据。
钙钛矿载体的XRD数据以衍射强度对2θ（单位：°）的形式给出，涵盖LaCrO₃、LaMnO₃、LaFeO₃、LaCoO₃与LaNiO₃五种样品。
催化剂性能测试数据包括：甘油转化率以百分比形式给出，产物选择性以百分比形式给出，碳质量平衡以百分比形式呈现，计算方式为反应前总碳摩尔数与反应后总碳摩尔数的比值乘以100，生成产物的量以毫摩尔（mmol）为单位给出。
本数据集采用的产物缩写如下：
GA = 甘油酸（Glyceric acid）
TA = 酒石酸（Tartronic acid）
LA = 乳酸（Lactic acid）
C-C scission = C1与C2产物
反应条件：甘油浓度0.3 M，NaOH与底物摩尔比4:1，氧气分压3 bar，底物与金属摩尔比1000，反应温度100 ℃。