Article
Chemistry, Physical
Xueyu Cao, Xinyu Wu, Yong Liu, Haojie Geng, Siyu Yu, Shetian Liu
Summary: The study presents a new strategy of using heteroatom co-doped carbon-based catalysts with improved activity for ODHE at lower temperatures. BXCN exhibited higher catalytic performance compared to other carbon catalysts reported in literature for ODHE.
Article
Chemistry, Multidisciplinary
Aaron Sattler, Michele Paccagnini, Elaine Gomez, Randall J. Meyer, Sara Yacob, Henry Klutse, Michael Caulfield, Yuan Gao
Summary: This study focuses on the application of ethane dehydrogenation in membrane reactors, evaluating the adaptability of catalysts to new gas-phase compositions by simulating hydrogen removal conditions. The results indicate that the catalyst is adversely affected by reactions under hydrogen removal conditions, limiting ethylene yields.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Multidisciplinary Sciences
Xiaoyan Yu, Fangyuan Cheng, Xiuyun Duan, Kui Xie
Summary: By fabricating porous single-crystalline vanadium nitride and doping Fe and Co, the active sites at the surface were engineered. The material showed high-density active sites and remarkable stability, achieving outstanding performance in the nonoxidative dehydrogenation of ethane to ethylene.
Article
Chemistry, Physical
Yanliang Zhou, Yicong Chai, Xiaoyu Li, Zihao Wu, Jian Lin, Yujia Han, Lin Li, Haifeng Qi, Yiming Gu, Leilei Kang, Xiaodong Wang
Summary: The layered TiO2 catalyst M-TiO2, derived from Ti3C2Tx MXene material, shows significant enhancement in ethane ODH performance compared to P25 TiO2. The presence of Ti and oxygen vacancy defects on M-TiO2 plays a key role in the conversion of C2H6. Ti vacancy sites stabilize the structure and increase the reducibility of lattice oxygen, while oxygen vacancy sites facilitate the activation of O2 to recover lattice oxygen.
Article
Chemistry, Multidisciplinary
Chenggong Jiang, Hongbo Song, Guodong Sun, Xin Chang, Shiyu Zhen, Shican Wu, Zhi-Jian Zhao, Jinlong Gong
Summary: This paper reveals the structure-activity relationship of lattice oxygen and investigates the activity descriptors of doped vanadium oxides using a data-driven approach. The results show that the p-band center is the most crucial feature for the activity, and other features from the coordination environment also play important roles. Based on these descriptors, it is demonstrated that atomic Re- and W-doping can effectively inhibit over-oxidation in the chemical looping oxidative dehydrogenation of propane.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Engineering, Environmental
Qi Yang, Xiaoxiong Huang, Jiaqi Zhang, Zhichang Xiao, Xiaoguang Duan, Shanke Zhou, Yue Niu, Hongqi Sun, Linjie Zhi, Shaobin Wang
Summary: In this study, we developed an edge-rich carbon nanotube/nanoribbon hybrid catalyst for the oxidative dehydrogenation of ethanol to acetaldehyde. The catalytic activity was significantly enhanced by the edge-rich structure and nitrogen doping, leading to a high ethanol conversion rate.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Mehran Sajad, Roman Bulanek, Stanislav Slang
Summary: This research investigates the use of a binary eutectic composition of KCl and MgCl2 supported on lanthanum exchanged FAU zeolite for the oxidative dehydrogenation of ethane. The initial conversion of ethane was 80% with ethene as the main product. Over time on the stream, catalyst deactivation was observed, attributed to the removal of chlorine from the catalyst and the formation of side products, such as chlorinated hydrocarbons.
Article
Engineering, Environmental
Runxia Cai, Leo Brody, Yuan Tian, Luke Neal, Arnab Bose, Fanxing Li
Summary: Chemical looping oxidative dehydrogenation (CL-ODH) has the potential to replace steam cracking for ethylene production. Accurate reactor modeling is crucial for scaling up and optimizing this new technology. A one-dimensional packed bed model was used to simulate the CL-ODH of ethane to ethylene, and the results were validated by experiments. Overall, this study provides insights for efficient and optimized operation of CL-ODH reactors.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Yukiko Hosono, Hikaru Saito, Takuma Higo, Kosuke Watanabe, Kazuharu Ito, Hideaki Tsuneki, Shun Maeda, Kunihide Hashimoto, Yasushi Sekine
Summary: The study demonstrates that Ce0.8Co0.2O2 catalyst doped with transition metal shows high activity and selectivity for ethylene production in the presence of steam, operating through the Mars-van Krevelen mechanism. The Co-CeO2 interactions play a crucial role in controlling the characteristics of the reactive lattice oxygen suitable for EDH.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Energy & Fuels
Xin Huang, Zhongqing Yang, Jiaqi Qiu, Bo Tang, Changlei Qin, Yunfei Yan, Jingyu Ran
Summary: In this study, a potential route for selective and efficient ethylene production via chemical looping oxidative dehydrogenation of ethane using alkaline, rare earth, and transition metals modified BaCoO3 perovskite as the circulative redox catalyst was reported. The results showed that ethane conversion and ethylene selectivity were mainly regulated by lattice oxygen and Co valence of the catalysts, respectively. Co-doping of La and Cu to A/B-site of BaCoO3 enhanced both ethane conversion and ethylene selectivity, achieving the highest selectivity of 81.2% at ethane conversion of 67.6%.
Article
Thermodynamics
Diego Maporti, Federico Galli, Paolo Mocellin, Gianluca Pauletto
Summary: This work reports the design of a flexible combined process in which electrified cracking and oxidative dehydrogenation processes are coupled. It identifies an economic viable alternative to the conventional fuel-fired cracking for the production of ethylene, reducing energy consumptions and carbon dioxide emissions.
ENERGY CONVERSION AND MANAGEMENT
(2023)
Article
Chemistry, Applied
Ming Li, Yunfei Gao, Kun Zhao, Haibin Li, Fang He, Pengmei Lv, Zhen Huang
Summary: The study investigated the use of Mg-doped LSFC as a catalyst for chemical looping oxidative dehydrogenation, which significantly increased ethylene selectivity and achieved high ethylene selectivity and ethane conversion rates. XPS and X-ray diffraction characterizations revealed that surface-absorbed peroxide played a critical role in selective ethane CL-ODH.
FUEL PROCESSING TECHNOLOGY
(2021)
Article
Chemistry, Physical
Jiaxu Liu, Zhenmei Zhang, Yulin Jiang, Xiao Jiang, Ning He, Siyang Yan, Peng Guo, Guang Xiong, Ji Su, Gianvito Vile
Summary: This study reveals the importance of controlling zeolite particle size and K2O addition in improving selectivity and catalyst stability during Zn-catalyzed CO2-assisted oxidative dehydrogenation of ethane. The nano-sized SSZ-13 catalysts outperform the micro-sized SSZ-13 catalysts, and K2O modification neutralizes the acidity of the catalysts, leading to higher selectivity and stability.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Chemistry, Multidisciplinary
Wenjuan Yang, Yating Zhu, Junjun Li, Zheng Chen, Farhat Nosheen, Qitao Zhang, Zhicheng Zhang
Summary: The study utilizes heterogeneous non-noble metal iron nanoparticles for catalytic dehydrogenation, demonstrating excellent performance and providing insights into the dehydrogenation mechanism.
CHINESE CHEMICAL LETTERS
(2021)
Article
Chemistry, Applied
Jordy Ramos-Yataco, Justin Notestein
Summary: The oxidative coupling of methane (OCM) is a direct method for upgrading methane to higher value hydrocarbons using an oxidant. While there has been extensive research on the initial coupling reactions to form ethylene, there has been less focus on further molecular weight growth to C3+ species. This study investigates the OCM activity and production of C3+ using different catalysts, including the A2WO4-MnOx/SiO2 family. The results show that C3+ formation is a gas-phase radical process, and ethylene co-feeds can enhance it under certain reactor conditions.
Article
Chemistry, Applied
Shuo Chen, Tianfu Liu, Samson O. Olanrele, Zan Lian, Chaowei Si, Zhimin Chen, Bo Li
Summary: In this study, nitrogen (N), phosphorus (P) co-doped metal-free carbon materials were designed and fabricated as efficient and stable electrocatalysts for the reduction of CO2 to CO. Through a combination of experimental and computational exploration, it was found that synergy effects between dopants significantly influenced the catalytic activity of the catalysts.
JOURNAL OF ENERGY CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Xiaoying Sun, Jiahui Xue, Yu Ren, Xinyu Li, Lijing Zhou, Bo Li, Zhen Zhao
Summary: This study investigates the catalytic properties of supported subnanometer platinum cluster on carbon nanotube support using first principles calculations. The interface between metal and support and tin promoter are found to be helpful in inhibiting deep dehydrogenation reactions. The results provide important insights for the development of new dehydrogenation catalysts.
CHINESE JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Physical
Junyuan Xu, Junjie Li, Zan Lian, Ana Araujo, Yue Li, Bin Wei, Zhipeng Yu, Oleksandr Bondarchuk, Isilda Amorim, Vasiliki Tileli, Bo Li, Lifeng Liu
Summary: Efficient and stable oxygen evolution reaction (OER) is crucial for hydrogen production, and a catalyst with surface atomic-step enriched ruthenium-iridium (RuIr) nanocrystals dispersed on a metal organic framework (MOF) derived carbon support (RuIr@CoNC) demonstrates outstanding catalytic performance in various electrolytes. The catalyst shows high mass activities and can sustain continuous OER electrolysis with minimal degradation, attributed to abundant atomic steps maximizing exposure of active sites and strong interaction leading to homogeneous dispersion and firm immobilization of RuIr catalysts.
Article
Chemistry, Physical
Min Yang, Zan Lian, Chaowei Si, Faheem Jan, Bo Li
Summary: This study establishes a relationship between the intrinsic properties of dopants and the performance of GQDs as a bi-functional catalyst in ORR/OER. The effects of various doped GQDs on ORR and OER are investigated, and it is found that pyridine nitrogen is the best dopant with the lowest overpotential.
MOLECULAR CATALYSIS
(2022)
Article
Chemistry, Physical
Junjie Li, Zan Lian, Qiang Li, Zhongchang Wang, Lifeng Liu, Francis Leonard Deepak, Yanping Liu, Bo Li, Junyuan Xu, Zuxin Chen
Summary: In this study, a high-performance nanoporous Ir_xRu_1-xO_2 catalyst with high activity and acid stability was successfully fabricated. The catalyst exhibits excellent electrocatalytic performance under acidic conditions and can sustain long-term oxygen evolution reaction, showing great potential for large-scale practical applications.
Article
Chemistry, Physical
Zhipeng Yu, Chaowei Si, Alec P. LaGrow, Zhixin Tai, Wolfgang A. Caliebe, Akhil Tayal, Maria J. Sampaio, Juliana P. S. Sousa, Isilda Amorim, Ana Araujo, Lijian Meng, Joaquim L. Faria, Junyuan Xu, Bo Li, Lifeng Liu
Summary: This study reports a bimetallic iridium-iron diatomic catalyst (IrFe-N-C) that exhibits excellent performance in oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) and is used in zinc-air batteries.
Article
Chemistry, Physical
Chaowei Si, Min Yang, Bo Li
Summary: This study compares the catalytic performance of five single atom catalysts (SACs) in NO oxidation through first principles calculations and finds that nitrogen dopants can effectively adjust the properties of metal atoms, enhancing the adsorption capacity of reactants. Furthermore, the study reveals that Eley-Rideal mechanism is more favorable than Langmuir-Hinshelwood mechanism. The research demonstrates the great potential of SACs in NO oxidation and verifies the strategy of carbon support dopant engineering.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Xiaoying Sun, Xinyu Li, Yue Liu, Zhan Yu, Bo Li, Zhen Zhao
Summary: This study explores the enhanced role of Mo dopant on MgO in oxidative coupling of methane. The results reveal that subsurface Mo dopant significantly enhances the adsorption and activation of oxygen molecules. The combination of adsorbed oxygen and surface Mg exhibits a balanced activity for C-H bond activation and release of methyl radical, paving the way for methane activation with promising yield.
Article
Chemistry, Multidisciplinary
Faheem Jan, Min Yang, Nuodan Zhou, XiaoYing Sun, Bo Li
Summary: In this study, the effects of doping CeO2 with different transition metals (V, Mn, Fe, Co, Ni, Pd, Pt, and Cu) in the presence of HCl on propane dehydrogenation (PDH) were investigated. The dopants significantly influenced the electronic structure of pristine ceria, resulting in notable changes in catalytic capabilities. HCl was found to spontaneously dissociate on all surfaces except V- and Mn-doped surfaces, with the lowest energy barriers observed on Pd- and Ni-doped CeO2 surfaces. Microkinetics simulation revealed that the increase in the turnover frequency (TOF) was directly related to the partial pressure of propane. This study provides a comprehensive understanding of catalyst modification for HCl-assisted PDH.
FRONTIERS IN CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Nuodan Zhou, Wen Liu, Faheem Jan, ZhongKang Han, Bo Li
Summary: Platinum-based materials are widely used in propane direct dehydrogenation as catalysts for achieving balanced activity. This study combines first-principles calculations and machine learning to identify promising metal promoters and key descriptors for controlling performance.
Article
Engineering, Environmental
Zhipeng Yu, Chaowei Si, Ferran Sabate, Alec P. LaGrow, Zhixin Tai, Vlad Martin Diaconescu, Laura Simonelli, Lijian Meng, Maria J. Sabater, Bo Li, Lifeng Liu
Summary: In this study, nickel/α-manganese oxide nanorods were reported as catalysts for proton exchange membrane water electrolysis (PEMWE), showing excellent electrocatalytic performance towards hydrazine (N2H4) oxidation reaction (HzOR) in neutral media. This can replace the energy-demanding oxygen evolution reaction (OER) and achieve PEMWE at low voltages. The catalyst also exhibits good corrosion resistance and oxidation stability, providing a foundation for long-term use.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Zhipeng Yu, Chaowei Si, Francisco Javier Escobar-Bedia, Alec P. LaGrow, Junyuan Xu, Maria J. Sabater, Isilda Amorim, Ana Araujo, Juliana P. S. Sousa, Lijian Meng, Joaquim Luis Faria, Patricia Concepcion, Bo Li, Lifeng Liu
Summary: This study reports the electrocatalytic performance of atomically dispersed ruthenium catalysts (Ru ADCs) with ultralow Ru loading for hydrogen production via water electrolysis. The Ru ADCs exhibit activity for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), showing favorable bifunctionality. Ru-N bonding is found to play a crucial role in enhancing the catalytic activity. The use of the bifunctional Ru ADCs in bipolar membrane water electrolysis enables energy-saving hydrogen production with a low cell voltage and stable performance.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Physical
ShuaiKe Zhi, Zan Lian, ChaoWei Si, Faheem Jan, Min Yang, Bo Li
Summary: This study elucidates the role of CO2 in propane dehydrogenation by using DFT-based microkinetic simulation. It is found that CO2 can directly abstract hydrogen from propane and propyl, and also actively participate in the removal of surface hydroxyls as CO* and O* species. These mechanisms significantly increase the rates of propane conversion and propene formation.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Faheem Jan, Zan Lian, Shuaike Zhi, Min Yang, Chaowei Si, Bo Li
Summary: This study reveals the influence of HBr on the reaction pathway and performance of propane dehydrogenation catalyzed by CeO2 through DFT-based microkinetic simulations. HBr enhances the adsorption of propane and reduces the activation energy of C-H bond in propane. Moreover, the reactivity of surface hydroxyl for C-H bond activation is significantly increased in the presence of HBr.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Chaowei Si, Min Yang, Bo Li
Summary: This study compares the unique catalytic properties of five single atom catalysts in NO oxidation, with the iron SAC showing a high TOF. Nitrogen dopants can adjust the properties of metal atoms and enhance reactant adsorption.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
