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Front Cover: Synthesis-Structure-Catalysis Relations in CHA Zeolites Applied for Selective Catalytic Reduction of NOx with Ammonia (ChemCatChem 16/2024) 封面:应用于氨选择性催化还原氮氧化物的 CHA 沸石的合成-结构-催化关系(ChemCatChem 16/2024)
IF 3.8 3区 化学
ChemCatChem Pub Date : 2024-08-27 DOI: 10.1002/cctc.202481601
Prof. Nao Tsunoji, Misae Onishi, Sou Sonoda, Dr. Takeshi Ohnishi, Prof. Masaru Ogura, Prof. Zen Maeno, Prof. Takashi Toyao, Prof. Ken-ichi Shimizu
{"title":"Front Cover: Synthesis-Structure-Catalysis Relations in CHA Zeolites Applied for Selective Catalytic Reduction of NOx with Ammonia (ChemCatChem 16/2024)","authors":"Prof. Nao Tsunoji,&nbsp;Misae Onishi,&nbsp;Sou Sonoda,&nbsp;Dr. Takeshi Ohnishi,&nbsp;Prof. Masaru Ogura,&nbsp;Prof. Zen Maeno,&nbsp;Prof. Takashi Toyao,&nbsp;Prof. Ken-ichi Shimizu","doi":"10.1002/cctc.202481601","DOIUrl":"https://doi.org/10.1002/cctc.202481601","url":null,"abstract":"<p><b>The Front Cover</b> represents the three formation routes of zeolite from different starting materials. Zeolites are crucial industrial catalysts, whereas their crystallization mechanism is still unclear, limiting their rational functional design. Nao Tsunoji and co-workers present the synthesis–structure–catalysis relation of CHA zeolite to get fundamental knowledge for intentionally controlling the function of zeolites. Different starting materials provide three different formation pathways to form CHA zeolites with different properties in the presence of tetraethylammonium hydroxide as an inexpensive organic structure directing agent. The knowledge related to origin of the catalytic durability was obtained based on their structural character, crystallization mechanism, and exhaust gas purification ability. More information can be found in the Research Article by Nao Tsunoji and co-workers (DOI: 10.1002/cctc.202400459).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"16 16","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.202481601","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142084581","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cover Feature: Stabilizing Layered BiOBr Photoelectrocatalyst by Van Der Waals Heterojunction Strategy (ChemCatChem 16/2024) 封面专题:通过范德华异质结策略稳定层状生物硼光电催化剂(ChemCatChem 16/2024)
IF 3.8 3区 化学
ChemCatChem Pub Date : 2024-08-27 DOI: 10.1002/cctc.202481602
Dr. Mengjiao Wang, Prof. Silvio Osella, Dr. Bruno Torre, Matteo Crisci, Fabian Schmitz, Roberto Altieri, Prof. Enzo Di Fabrizio, Dr. Heinz Amenitsch, Dr. Barbara Sartori, Zheming Liu, Prof. Teresa Gatti, Dr. Francesco Lamberti
{"title":"Cover Feature: Stabilizing Layered BiOBr Photoelectrocatalyst by Van Der Waals Heterojunction Strategy (ChemCatChem 16/2024)","authors":"Dr. Mengjiao Wang,&nbsp;Prof. Silvio Osella,&nbsp;Dr. Bruno Torre,&nbsp;Matteo Crisci,&nbsp;Fabian Schmitz,&nbsp;Roberto Altieri,&nbsp;Prof. Enzo Di Fabrizio,&nbsp;Dr. Heinz Amenitsch,&nbsp;Dr. Barbara Sartori,&nbsp;Zheming Liu,&nbsp;Prof. Teresa Gatti,&nbsp;Dr. Francesco Lamberti","doi":"10.1002/cctc.202481602","DOIUrl":"https://doi.org/10.1002/cctc.202481602","url":null,"abstract":"<p>2D MoS<sub>2</sub>/BiOBr van der Waals heterojunctions can be used for photoelectrocatalytic hydrogen production. <b>The Cover Feature</b> shows a MoS<sub>2</sub>/BiOBr heterojunction working as a photocathode. The photogenerated electrons from BiOBr mainly flow into two directions: one is migrating towards the MoS<sub>2</sub> surface, driving the hydrogen evolution reaction; the other is accumulating on BiOBr and reduces BiOBr to metallic Bi. However, in a heterojunction with small ratio of MoS<sub>2</sub>, the electrons are prone to transfer to MoS<sub>2</sub>, thus decreasing the accumulation of electrons on BiOBr and preventing it from deactivation. More information can be found in the Research Article by Mengjiao Wang, Francesco Lamberti, and co-workers (DOI: 10.1002/cctc.202400282).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"16 16","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.202481602","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142084582","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cr2O3 clusters on ZnO as hydrogen pools for efficient syngas‐to‐light olefins 氧化锌上的 Cr2O3 团簇是高效合成气制轻烯烃的氢池
IF 4.5 3区 化学
ChemCatChem Pub Date : 2024-08-27 DOI: 10.1002/cctc.202401421
Beikai Ding, Chengsheng Yang, Yue Chen, Wei-Peng Shao, Fan Yang, Chi Zhang, Zheng Wang, Yongmei Liu, Yong Cao, Yifeng Zhu, Xinhe Bao
{"title":"Cr2O3 clusters on ZnO as hydrogen pools for efficient syngas‐to‐light olefins","authors":"Beikai Ding, Chengsheng Yang, Yue Chen, Wei-Peng Shao, Fan Yang, Chi Zhang, Zheng Wang, Yongmei Liu, Yong Cao, Yifeng Zhu, Xinhe Bao","doi":"10.1002/cctc.202401421","DOIUrl":"https://doi.org/10.1002/cctc.202401421","url":null,"abstract":"Interfaces of mixed oxide are often considered the primary catalytic sites, yet the functionalities of the surrounding environments are less understood. Composite oxides, particularly ZnO‐Cr2O3, show high activity and selectivity for syngas conversion, with ZnO dissociating H2 to hydrides and Cr2O3 activating CO. However, hydrides on ZnO cannot remain stable at temperatures above room temperature. Focusing on the puzzlingly high performance despite ZnO’s inability to stabilize active hydrides at reaction temperatures (300‐400 oC), we clarified the roles of each phase using models of Cr2O3/ZnO and ZnO/Cr2O3. Cr2O3 clusters on ZnO effectively stabilize and store hydrides, significantly enhancing syngas conversion compared to individual oxides or ZnO/Cr2O3. An acetate/ketene pathway on Cr2O3/ZnO was identified, driven by the unique role of Cr2O3 clusters in regulating local hydride and CO coverages, unlike other routes observed on ZnO/Cr2O3. These insights advance the understanding of the active structures and functionalities of mixed oxides in catalysis.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"73 3 1","pages":""},"PeriodicalIF":4.5,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hydrogen Evolution Catalysis by Cobalt Complexes of an Aza‐bridged Bis‐1,10‐phenanthroline Ligand Bearing Pendant Basic Sites 带有垂碱性位点的氮桥式双-1,10-菲罗啉配体的钴络合物催化氢气进化
IF 4.5 3区 化学
ChemCatChem Pub Date : 2024-08-27 DOI: 10.1002/cctc.202401284
Bin Guan, Jiale Liu, Ji-dong Leng, Ting Fan, Lianpeng Tong
{"title":"Hydrogen Evolution Catalysis by Cobalt Complexes of an Aza‐bridged Bis‐1,10‐phenanthroline Ligand Bearing Pendant Basic Sites","authors":"Bin Guan, Jiale Liu, Ji-dong Leng, Ting Fan, Lianpeng Tong","doi":"10.1002/cctc.202401284","DOIUrl":"https://doi.org/10.1002/cctc.202401284","url":null,"abstract":"A novel series of molecular Co(II) complexes with aza‐bridged bis‐1,10‐phenanthroline (bpa) ligands have been synthesized and reported for the catalytic hydrogen evolution reaction (HER). Various nitrogen donor substituents are introduced at the aza‐bridge of the bis‐phenanthroline moieties render intramolecular basic sites in the complexes’ second‐coordination sphere. Modifying the pendant nitrogen donor significantly influences the catalytic HER performance. Among these, the cobalt complex with the (2‐pyridyl)methyl substituted bis‐phenanthroline ligand (L3) exhibits the most photocatalytic HER efficiency in both organic and aqueous media. Under optimized conditions with [Ru(bpy)3]2+ as a sensitizer and ascorbic acid as an electron donor, [CoII(L3)(TfO−)2] achieves an initial turnover frequency (TOF) of 1882 ± 65 h−1 per catalyst and a turnover number (TON) of 4842 ± 122 in a 3‐hour reaction period under the irradiation of visible light. Combined experimental and theoretical evidences illustrate that phenanthroline moieties of the bpa ligands act as electron mediators during the HER catalysis, while the pendant nitrogen donor substituents mediate proton transfer. This work provides a unique example for understanding the activity‐structure relationship of homogeneous HER catalyst concerning the redox‐active properties and second coordination sphere basic sites of organic ligand platforms.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 1","pages":""},"PeriodicalIF":4.5,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208818","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chemoenzymatic Synthesis of Plant‐Derived Kavalactone Natural Products by Dynamic Resolution Using a Biosynthetic O‐Methyltransferase Tailoring Enzyme 利用生物合成 O-甲基转移酶定制酶,通过动态解析化学酶法合成植物来源的卡瓦内酯天然产品
IF 4.5 3区 化学
ChemCatChem Pub Date : 2024-08-26 DOI: 10.1002/cctc.202400883
Simon Rydzek, Florian Guth, Steffen Friedrich, Jakob Noske, Birte Höcker, Frank Hahn
{"title":"Chemoenzymatic Synthesis of Plant‐Derived Kavalactone Natural Products by Dynamic Resolution Using a Biosynthetic O‐Methyltransferase Tailoring Enzyme","authors":"Simon Rydzek, Florian Guth, Steffen Friedrich, Jakob Noske, Birte Höcker, Frank Hahn","doi":"10.1002/cctc.202400883","DOIUrl":"https://doi.org/10.1002/cctc.202400883","url":null,"abstract":"Biosynthetic enzymes have enormous potential for the chemoenzymatic synthesis of natural products and other bioactive compounds. Methyltransferases are promising tools for the selective enzymatic modification of complex structures. This paper describes the production, purification and biochemical characterization of the O‐methyltransferase JerF, which catalyzes unique 4‐methoxy‐5,6‐dihydropyranone formation in jerangolid A biosynthesis. Isolation problems had hitherto prevented detailed studies on JerF and were solved by the production of the maltose‐binding protein fusion protein. The differentiation of JerF between styryl‐substituted dihydropyrandion enantiomers was investigated. In combination with a spontaneous racemization occurring with this type of substrates, a new enzymatic dynamic kinetic resolution was observed, which was used for the enantioselective chemoenzymatic synthesis of kavalactone natural products and new derivatives. In combination with an HMT‐based SAM regeneration system, (+)‐kavain, (+)‐11,12‐dimethoxykavain and (+)‐12‐fluorokavain were prepared in 3‐4 steps on the 100 µmol scale with overall yields of 37‐57% and ees of 70‐86%. A mutational study based on an AlphaFold 2 model provided indications for active site residues with an influence on the performance of the enzyme that could be targets for engineering. This example illustrates how the exceptional enzymatic activities and specificities of biosynthetic enzymes can be exploited for the development of new synthesis approaches.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"47 1","pages":""},"PeriodicalIF":4.5,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tandem Hydrocyanation and Nitrile/Amide Cyclization of Propiolamides: A Rapid Access to 5‐Iminopyrrolones 丙炔酰胺的串联氢氰化和腈/酰胺环化:快速获得 5-氨基吡咯烷酮
IF 4.5 3区 化学
ChemCatChem Pub Date : 2024-08-26 DOI: 10.1002/cctc.202401255
Jiawen Hu, Suliang Wang, Lingna Wang, Jinguo Long, Xianjie Fang
{"title":"Tandem Hydrocyanation and Nitrile/Amide Cyclization of Propiolamides: A Rapid Access to 5‐Iminopyrrolones","authors":"Jiawen Hu, Suliang Wang, Lingna Wang, Jinguo Long, Xianjie Fang","doi":"10.1002/cctc.202401255","DOIUrl":"https://doi.org/10.1002/cctc.202401255","url":null,"abstract":"A Pd‐catalyzed synthesis of 5‐iminopyrrolones from propiolamides was developed, which featured wide substrate scope and good yields. This efficient conversion involved a tandem hydrocyanation, E to Z isomerization of alkenes, and nitrile/amide cyclization. Control experiments show the intermediacy of β‐cyanation products, and the Z‐isomers was efficiently converted to the target products by Pd/L2 catalysis only after the cyanation reagent was completely consumed.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"10 1","pages":""},"PeriodicalIF":4.5,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fabrication of FeCu/CC composite for efficient removal of nitrate for aqueous solution via electrochemical reduction process 通过电化学还原工艺制作用于高效去除水溶液中硝酸盐的 FeCu/CC 复合材料
IF 4.5 3区 化学
ChemCatChem Pub Date : 2024-08-24 DOI: 10.1002/cctc.202401017
Weiman Li, Qingbo Yin, Cuicui Liu, Shuqin Yang, Dongyu Jin, Xiuli Wang, Laizhou Song
{"title":"Fabrication of FeCu/CC composite for efficient removal of nitrate for aqueous solution via electrochemical reduction process","authors":"Weiman Li, Qingbo Yin, Cuicui Liu, Shuqin Yang, Dongyu Jin, Xiuli Wang, Laizhou Song","doi":"10.1002/cctc.202401017","DOIUrl":"https://doi.org/10.1002/cctc.202401017","url":null,"abstract":"The electrochemical nitrate reduction (ENR) for the conversion of nitrate to nitrogen gas is a significant strategy to remediate the eutrophication in surface water. However, the exploitations and practical applications of suitable electrocatalysts still face great challenges. In this study, FeCu bimetal microparticles were deposited onto surface of carbon cloth (CC) to fabricate the FeCu/CC electrocatalyst for the removal of nitrate. Among obtained catalysts, the sample with Fe/Cu molar ratio of 1:15 (Fe1Cu15/CC) exhibits the excellent electroreduction efficiency for nitrate removal (R(NO3‐), &gt; 90%) but an ineffective selectivity of N2 formation (S(N2), ~23%). After the anchor of reduced graphite oxide (rGO) to surface of Fe1Cu15/CC, at the optimized condition without the assistance of chlorine oxidation, R(NO3‐) and S(N2) of rGO/Fe1Cu15/CC catalyst reach 94.2% and 72.8%. After 5‐day endurance test, the values of R(NO3‐) and S(N2) are still 82.9% and 62.8%, demonstrating the promising durability of this catalyst electrode. Meanwhile, the potential application of rGO/Fe1Cu15/CC was explored for the treatment of simulated wastewater discharged by urban wastewater treatment plant, the concentration of total nitrogen (TN) decreases from 15 to 1.17 mg/L, and this value is lower than TN threshold limit in Class IV of Chinese surface water quality standard.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"38 1","pages":""},"PeriodicalIF":4.5,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preparation of Alkali Metal Iridates as Oxygen Evolution Catalysts Via Thermal Transformation of Amorphous Iridium (oxy)hydroxides. 通过无定形铱(氧)氢氧化物的热转化制备作为氧进化催化剂的碱金属铱酸盐。
IF 4.5 3区 化学
ChemCatChem Pub Date : 2024-08-23 DOI: 10.1002/cctc.202401326
Mario Falsaperna, Rosa Arrigo, Frank Marken, Simon Freakley
{"title":"Preparation of Alkali Metal Iridates as Oxygen Evolution Catalysts Via Thermal Transformation of Amorphous Iridium (oxy)hydroxides.","authors":"Mario Falsaperna, Rosa Arrigo, Frank Marken, Simon Freakley","doi":"10.1002/cctc.202401326","DOIUrl":"https://doi.org/10.1002/cctc.202401326","url":null,"abstract":"Achieving efficient water‐splitting under acidic conditions for hydrogen production is severely limited by the anodic oxygen evolution reaction (OER). Overcoming this obstacle is vital to realise effective electrolysers and deliver a hydrogen‐driven economy. Iridium oxides remain one of the only viable catalysts under acidic conditions due to their corrosion resistance, however, a fine balance exists between the activity and stability of differing oxide morphologies. We have previously shown that heat‐treating high‐activity amorphous iridium oxyhydroxide in the presence of residual lithium carbonate leads to the formation of lithium‐layered iridium oxide, suppressing the formation of low‐activity crystalline rutile IrO2. We now report our recent work on the synthesis of similar compounds, Na‐IrOx and K‐IrOx, featuring similarly layered crystalline structures. Electrocatalytic tests confirm Li‐IrOx has similar electrocatalytic activity as commercial amorphous IrO2·2H2O and with increasing size of the intercalated cation, the activity towards the OER decreases. However, the synthesised electrocatalysts show greater stability than crystalline rutile IrO2 and amorphous IrO2·2H2O, suggesting these compounds could be viable alternatives for industrial PEM electrolysers where durability is a key performance criterion.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"16 1","pages":""},"PeriodicalIF":4.5,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Self-Supported Sand Rose-Like MoSe2/NiSe/NiFe-LDH Bifunctional Electrocatalyst for Overall Water Electrolysis 用于整体水电解的自支撑沙玫瑰型 MoSe2/NiSe/NiFe-LDH 双功能电催化剂
IF 3.8 3区 化学
ChemCatChem Pub Date : 2024-08-22 DOI: 10.1002/cctc.202400848
Yuxin Chen, Yiping Wang, Xuhui Zhao, Fazhi Zhang, Xiaodong Lei
{"title":"Self-Supported Sand Rose-Like MoSe2/NiSe/NiFe-LDH Bifunctional Electrocatalyst for Overall Water Electrolysis","authors":"Yuxin Chen,&nbsp;Yiping Wang,&nbsp;Xuhui Zhao,&nbsp;Fazhi Zhang,&nbsp;Xiaodong Lei","doi":"10.1002/cctc.202400848","DOIUrl":"https://doi.org/10.1002/cctc.202400848","url":null,"abstract":"<p>Hydrogen energy with a high fuel value is considered to be one of the most important renewable and clean energy sources in sustainable energy. Electrocatalytic water splitting is the best way to produce hydrogen sustainably on a large scale. In this work, the sand rose-like MoSe<sub>2</sub>/NiSe/NiFe layered double hydroxide (NiFe-LDH) catalyst is obtained by a two-step hydrothermal method for hydrogen evolution (HER) and oxygen evolution reaction (OER). The three-dimensional (3D) hierarchical structure is observed by SEM, TEM, XRD and XPS, and the results showed that there is strong electronic interaction among the components, which promotes electron transfer and improves catalytic activity. In the alkaline environment, the catalyst exhibits excellent HER and OER performance, the current density of 10 mA cm<sup>−2</sup> requires only 130 mV and 136 mV overpotential, respectively. In the water splitting system composed of MoSe<sub>2</sub>/NiSe/NiFe-LDH as both cathode and anode, only 1.51 V voltage reaches the current density of 10 mA cm<sup>−2</sup>, and workes continuously for more than 120 h at 100 mA cm<sup>−2</sup> current density with excellent stability. The Faraday efficiency of hydrogen production is close to 100 %. This study provides a promising strategy for the preparation of efficient electrocatalyst for overall water splitting.</p>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"16 21","pages":""},"PeriodicalIF":3.8,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142642470","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ammonia synthesis rate over a wide operating range: from experiments to validated kinetic models 宽操作范围内的氨合成率:从实验到经过验证的动力学模型
IF 4.5 3区 化学
ChemCatChem Pub Date : 2024-08-22 DOI: 10.1002/cctc.202400890
Solmaz Nadiri, Alireza Attari Moghaddam, Jan Folke, Holger Ruland, Bo Shu, ravi Fernandes, Robert Schlögl, Ulrike Krewer
{"title":"Ammonia synthesis rate over a wide operating range: from experiments to validated kinetic models","authors":"Solmaz Nadiri, Alireza Attari Moghaddam, Jan Folke, Holger Ruland, Bo Shu, ravi Fernandes, Robert Schlögl, Ulrike Krewer","doi":"10.1002/cctc.202400890","DOIUrl":"https://doi.org/10.1002/cctc.202400890","url":null,"abstract":"With the increasing demand for flexible operation of ammonia production, the feasibility of using reaction kinetic models to predict the performance of a Haber Bosch reactor in a wide operating range must be evaluated. This study compares the feasibility of a lumped Temkin rate expression with a more complex lumped microkinetic model in predicting turnover rates across diverse temperatures and feed compositions. Evaluation and validation were carried out through ammonia synthesis experiments on a magnetite‐based industrial catalyst at temperatures ranging from 548 K to 773 K and H2:N2 ratios between 4:1 to 1:1 at 90 bar. While excellent agreement between model predictions and experiments was observed at 648 K, significant discrepancies emerged at 548 K. These findings are valueable for both state‐of‐the‐art ammonia synthesis reactors and green ammonia plants utilizing electrolysis‐derived hydrogen, where flexible operating conditions are paramount. Moreover, integrating site density as a function of temperature and the partial pressure of H2 into the lumped microkinetic model marks a notable advancement, promising enhanced precision in addressing varied operating conditions.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"22 1","pages":""},"PeriodicalIF":4.5,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208826","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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