Article
Physics, Applied
X. Chen, J. Yvonnet, H. S. Park, S. Yao
Summary: By numerical simulations and topology optimization, it is demonstrated that piezoelectric composites have the potential for significantly large apparent converse flexoelectric properties. Both converse and higher order electromechanical coupling effects contribute strongly to the flexoelectric response and properties of these composites.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Hao Zhang, Aleksei Bolshakov, Raghavendra Meena, Gustavo A. Garcia, A. Iulian Dugulan, Alexander Parastaev, Guanna Li, Emiel J. M. Hensen, Nikolay Kosinov
Summary: Non-oxidative coupling of methane enables the direct production of ethylene from natural gas. By using siliceous [Fe]zeolites with MFI and CHA topologies, high selectivity to ethylene and ethane (>90% for MFI and >99% for CHA) was achieved. Deactivated [Fe]zeolites can be regenerated by burning coke in air. In situ X-ray absorption spectroscopy and photoelectron photoion coincidence spectroscopy were employed to investigate the reaction mechanism, revealing the formation of methyl radicals as intermediates and proposing a reaction network leading to polyaromatic species over [Fe]MFI.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Y. Ivanova, R. Petrov, S. Reshetnikov, L. Isupova
Summary: Based on La2TiO5 layered perovskite, complex oxide materials were synthesized by the sol-precipitation method. The Sr-substituted samples showed higher catalytic activity compared to the Mg-substituted ones.
MATERIALS TODAY CHEMISTRY
(2022)
Article
Chemistry, Applied
Divakar R. Aireddy, Amitava Roy, David A. Cullen, Kunlun Ding
Summary: Supported Na-Mn-W oxides on titanate nanowires were found to have similar catalytic performance as the commonly studied MnOx/Na2WO4/SiO2 catalyst, with a synergistic effect between MnOx and WOx sites. The titanate support not only acts as a reservoir for alkali metals, but also stabilizes isolated MnOx species, contributing to the high selectivity toward C2+ products and suppressed COx formation.
Article
Chemistry, Physical
Svetlana Pavlova, Yulia Ivanova, Sergey Tsybulya, Yurii Chesalov, Anna Nartova, Evgenii Suprun, Lyubov Isupova
Summary: The methane oxidative coupling (OCM) is a potential method for producing C-2 hydrocarbons. In this study, a Sr2TiO4 catalyst was synthesized using mechanochemical activation (MA) and annealing methods. The OCM activity was found to be correlated with surface Sr concentration and surface oxygen amount.
Article
Chemistry, Physical
A. Pancotti, J. J. Silva, A. de Siervo, R. Landers, P. A. P. Nascente
Summary: The surface composition of a (root 5 x root 5)-R26.6 degrees reconstruction of a strontium titanate (001) single crystal was characterized by X-ray photoelectron spectroscopy, while its atomic surface structure was determined by a combination of low energy electron diffraction and X-ray photoelectron diffraction. Experimental and theoretical XPD results suggested that the surface reconstruction has two possible terminations: 40% SrO and 60% TiO2.
Article
Chemistry, Multidisciplinary
Caiyun Hong, Zhen Song, Bing Lin, Pengxu Ran, Tiankai Wu, Xiaopeng Xie, Congying Jiang, Rui-Hua He
Summary: This study reports an unexpected effect of adhesives on the surface reconstruction of SrTiO3. Two different surface reconstructions were obtained using different adhesives, and the outgassing of the adhesives was found to influence the surface reconstruction.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Caiyun Hong, Zhen Song, Bing Lin, Pengxu Ran, Xiaopeng Xie, Congying Jiang, Rui-Hua He
Summary: We report on the dramatic effect of substrate surface reconstruction on thin film growth. Different surface reconstructions lead to the growth of thin films with distinct structures. Based on in-situ measurements of the electronic structure, two different phases of thin films were identified, which grow on substrates with different surface reconstructions.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Applied
Shihui Zou, Zhinian Li, Qiuyue Zhou, Yang Pan, Wentao Yuan, Lei He, Shenliang Wang, Wu Wen, Juanjuan Liu, Yong Wang, Yonghua Du, Jiuzhong Yang, Liping Xiao, Hisayoshi Kobayashi, Jie Fan
Summary: In this study, methyl radicals generated by La2O3 were shown to selectively couple on the surface of Na2WO4/SiO2 at low temperatures, significantly improving the C-2 selectivity and yield. Na2WO4 nanoclusters were identified as the active sites for methyl radical coupling. This new bifunctional OCM catalyst system holds promise for achieving high OCM performance at lower reaction temperatures.
CHINESE JOURNAL OF CATALYSIS
(2021)
Article
Nanoscience & Nanotechnology
Jianfeng Hu, Zhijian Shen
Summary: Grain growth during heating treatment is crucial for the development of microstructures in polycrystalline materials. SrTiO3 ceramics sintered at different heating rates exhibit distinct grain growth behaviors and microstructures, with two different mechanisms of grain growth dominating at different heating rates. The switch of growth mechanisms is determined by the competition between the activation of grain motions and the formation of steady neck among grains.
SCRIPTA MATERIALIA
(2021)
Review
Chemistry, Multidisciplinary
Allison M. Arinaga, Morgan C. Ziegelski, Tobin J. Marks
Summary: Research on the catalytic oxidative coupling of methane (OCM) using alternative oxidants such as N2O, CO2, and S-2 is still in its early stages, with unique advantages and challenges compared to oxygen (O-2) as the oxidant. This area has not been extensively reviewed, despite the renewed interest in OCM due to the abundance of shale gas resources.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Nanoscience & Nanotechnology
Takeshi Aihara, Wataru Aoki, Shin Kiyohara, Yu Kumagai, Keigo Kamata, Michikazu Hara
Summary: In this study, perovskite oxide nanoparticles were successfully synthesized using dicarboxylic acids as reagents. The resulting SrTiO3 nanoparticles showed high catalytic activity for the cyanosilylation of carbonyl compounds, even without a heat pretreatment.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Sora Ishioka, Aya Fujiwara, Sunao Nakanowatari, Lauren Takahashi, Toshiaki Taniike, Keisuke Takahashi
Summary: This study utilizes machine learning and catalyst big data to design catalyst descriptors for representing catalytic activities. Experiments confirm the accuracy of the proposed catalyst descriptors and demonstrate that these physical quantities can be used as alternative descriptors for designing heterogeneous catalysts.
Article
Multidisciplinary Sciences
Shanfu Liu, Sagar Udyavara, Chi Zhang, Matthias Peter, Tracy L. Lohr, Vinayak P. Dravid, Matthew Neurock, Tobin J. Marks
Summary: Through detailed experimental and theoretical studies, it has been found that the oxidative coupling of methane using gaseous disulfur as an oxidant proceeds with promising selectivity, following a different pathway compared to methane oxidative coupling with oxygen.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Nanoscience & Nanotechnology
Hua Xu, Chunlei Yan, Ruizhe Li, Lizhu Song, Shuxin Ouyang
Summary: The combination of oxygen vacancy and alkaline OH on SrTiO3 can greatly promote the CO2 photodissociation activity.
Article
Chemistry, Physical
Chuanye Xiong, Sheng Dai, Zili Wu, De-en Jiang
Summary: Using first principles density function theory and molecular dynamics, this study investigates the stability and catalytic activity of Pt, Au, and Ru single atoms anchored at B and N vacancies on h-BN. The results show that Pt and Ru are more stable than Au on h-BN, and Pt at the B vacancy and Ru at the N vacancy exhibit excellent activity for propane dehydrogenation.
Article
Chemistry, Physical
Kristen Wang, Zili Wu, De-en Jiang
Summary: Research suggests that the role of lattice hydrides is crucial in ammonia synthesis on perovskite oxyhydrides, with a subsurface hydride vacancy facilitating the distal pathway and neighboring surface Ti sites playing a key role in stabilizing intermediates in the alternating pathway. Desorption of NH3 is found to be the most energy uphill step in both pathways.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Zili Wu, Qihua Yang, Yan Liu, Boyu Zhang, Rengui Li, Wangyin Wang, Jijie Wang, Kazunari Domen, Feng Wang, Fengtao Fan
Summary: Prof. Can Li has made significant scientific achievements in the field of catalysis, especially in the characterization of catalysts and their applications in solar energy conversion. He has developed in situ spectroscopic techniques and applied the knowledge gained to the rational design and synthesis of catalysts, leading to a better understanding and practical application of catalytic reactions.
Article
Chemistry, Physical
Siavash Fadaeerayeni, Xinbin Yu, Erik Sarnello, Zhenghong Bao, Xiao Jiang, Raymond R. Unocic, Lingzhe Fang, Zili Wu, Tao Li, Yizhi Xiang
Summary: COx-free H-2 can be produced from hydrocarbons using ammonia-assisted reforming. This process also co-produces HCN, which can be separated and used as value-added chemicals or for NH3 recycling. The Re-modified HZSM-5 zeolite catalyst shows excellent catalytic activity and coke resistibility in the ammoreforming of ethane and propane.
Article
Chemistry, Multidisciplinary
Weiwei Yang, Felipe Polo-Garzon, Hua Zhou, Zhennan Huang, Miaofang Chi, Harry Meyer III, Xinbin Yu, Yuanyuan Li, Zili Wu
Summary: In this study, different Pd single atom catalysts on ceria support were obtained by thermal pretreatment, leading to enhanced activity for methane oxidation. The enhanced activity is related to the oxygen-deficient local structure and elongated interacting distance with ceria.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Yang He, Junyan Zhang, Felipe Polo-Garzon, Zili Wu
Summary: Since the 1970s, researchers have been studying the strong metal-support interactions (SMSIs) in supported metal catalysts to enhance stability and create novel catalytic sites. They have discovered that SMSIs are more common than initially thought and that various adsorbed species can promote SMSI in catalytic systems. The understanding of SMSIs has implications for catalyst stability, catalytic rates, and product selectivity in heterogeneous catalysis.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Sreya Paladugu, Peter C. Metz, Si Luo, Meijun Li, Jue Liu, Harry Meyer, Yiqing Wu, Zili Wu, Katharine Page
Summary: This study investigates the structural evolution of ceria nanorods under redox gas environments with Pt loading, which is important for catalysis applications. The results show that Pt-CeO2 nanorods are more easily reducible than CeO2 rods, and no evidence of oxygen vacancy ordered surface reconstruction is found.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Xiao Jiang, Bar Mosevitzky Lis, Yiqing Wu, Israel E. Wachs, Zili Wu
Summary: Our study investigates the stability and regenerability of V/In catalysts for CO2-assisted oxidative dehydrogenation of propane. We found that a V/In catalyst with increased monovanadate content exhibits enhanced propylene yield, improved stability, and good activity recovery after regeneration. Characterization results indicate that monovanadates strengthen the interaction with In2O3, resulting in a more stabilized V/In surface and improved redox properties of VOx.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Meijia Li, Tianyu Zhang, Shi-Ze Yang, Yifan Sun, Junyan Zhang, Felipe Polo-Garzon, Kevin M. Siniard, Xinbin Yu, Zili Wu, Darren M. Driscoll, Alexander S. Ivanov, Hao Chen, Zhenzhen Yang, Sheng Dai
Summary: A mechanochemistry-driven approach was used to construct strong metal-support interactions (SMSIs) under neat and ambient conditions, resulting in enhanced catalysis. The encapsulation degree and overlayer structures could be customized, leading to improved hydrogenation activity.
Review
Chemistry, Applied
Yuanyuan Li, Zili Wu
Summary: Repurposing CO2 into chemicals is a challenge due to the lack of effective catalysts and processes. In situ/operando investigations of reaction mechanisms and catalyst structures are crucial for developing efficient catalysts. The development of high-pressure reactors and advanced spectroscopy techniques have shed light on the working mechanisms of some catalytic systems, but further research is needed to understand the nature of active sites and their promotion of different reaction paths.
Article
Chemistry, Physical
Victor Fung, Guoxiang Hu, Zili Wu, De-en Jiang
Summary: Polar surfaces of perovskites can undergo polarity compensation, leading to stronger adsorption of hydrogen and the formation of hydroxyl and hydride layers. This polarity compensation mechanism may enable the development of new hydrogenation catalysts based on perovskites.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Kristen Wang Romero, Felipe Polo-Garzon, Zili Wu, Aditya Savara, De-en Jiang
Summary: Using first-principles density functional theory and microkinetic modeling, we investigated the catalytic mechanism of acetylene semi-hydrogenation on a perovskite oxyhydride (POH), cubic BaTiO(2.5)H(0.5) (BTOH). We found that at 523K, mechanism 1 is more active than mechanism 2, leading to selective formation of ethylene.
Article
Chemistry, Physical
Rui Peng, Xiaohan Ma, Zachary D. Hood, Abdelaziz Boulesbaa, Alexander A. Puretzky, Jianhua Tong, Zili Wu
Summary: Plasmonic enhancement of photocatalytic hydrogen evolution under visible light illumination was achieved by integrating strongly plasmonic metal particles, such as gold (Au), with semiconducting materials. By tuning the localized surface plasmon resonance (LSPR) wavelength of Au nanocages, an optimal enhancement in the photocatalytic hydrogen evolution reaction (HER) can be obtained over multiphasic 2D MoS2 nanosheets.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Yuanyuan Li, Haodong Wang, Haohong Song, Ning Rui, Matthew Kottwitz, Sanjaya D. Senanayake, Ralph G. Nuzzo, Zili Wu, De-en Jiang, Anatoly I. Frenkel
Summary: This study successfully improved the activity of CO oxidation by designing Pt single atom catalysts supported on Gd-doped ceria. The results showed that a new Pt single atom site formed under CO pretreatment at elevated temperatures can significantly reduce the energy barrier of CO oxidation. The reactivity and reaction mechanism of the catalyst can be tuned by changing the local electronic and atomic structure of the Pt single atom through Gd doping.
Article
Chemistry, Multidisciplinary
Anna Zabilska, Adam H. Clark, Benjamin M. Moskowitz, Israel E. Wachs, Yuya Kakiuchi, Christophe Coperet, Maarten Nachtegaal, Oliver Krocher, Olga Safonova
Summary: The redox dynamics of a VOx/TiO2 catalyst during the oxidative dehydrogenation of ethanol was studied. It was found that TiOx can promote the reducibility of VOx species.
