Article
Chemistry, Physical
Bin He, Yuandong Cui, Yu Lei, Wenjin Li, Jian Sun
Summary: Photocatalytic CO2 reduction reaction (CRR) and hydrogen evolution reaction (HER) based on graphitic carbon nitride (g-C3N4) provide promising strategies for producing next-generation fuels, achieving carbon neutrality, and addressing energy and environmental crises. However, the activity of CRR and HER over g-C3N4 needs improvement. This review focuses on the understanding of CRR and HER reaction pathways and the latest advances in improving fuel synthesis through CRR or HER, aiming to enhance the understanding of the structure-activity relationship and develop high-powered photocatalysts beyond g-C3N4.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Kailun Liang, Dongmei Zhang, Yanming Su, Lijun Lu, Jun Hu, Yi-Hung Chen, Xinxing Zhang, Aiwen Lei, Hong Yi
Summary: The direct alpha-C(sp(3))-H functionalization of tertiary amines is a promising method for constructing complex amine structures. Various activation methods, such as electron transfer, proton transfer, oxidants, photoredox catalysis, and electrochemical oxidation, have been studied extensively. However, the capture and identification of short-lived reactive radical intermediates in these reactions have been challenging. In this study, an online electrochemical mass spectrometry method was used to detect the short-lived intermediates in the electrochemical oxidative alpha-C(sp(3))-H functionalization of tertiary amines. The results revealed the presence of alpha-amino radical cations and iminium cations. Based on the understanding of the reactivity of the alpha-amino radical, a scalable electrochemical radical vinylation methodology was developed, leading to the synthesis of a wide range of allylic amines with broad functional group tolerance.
Article
Engineering, Environmental
Ning Liu, Zhiyao Duan, Qiaoqiao Zhang, Jingqi Guan
Summary: Heteroatom doping is an effective strategy in improving the electrocatalytic performance of carbon-based composite catalysts. The ultrafine iridium oxide nanoparticles supported on boron-doped carbon nanotubes exhibit excellent OER and HER activities, attributed to their enhanced redox abilities and hydrogen binding energy. The O-excessive surface of IrO2 nanoparticles weakens the binding strengths of oxygenated species during OER, while the reduced surface enhancing H binding energy leads to improved HER activity.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
J. Li, R. Ge, Y. Li, R. Zheng, J. Yang, J. Zhang, M. Zhu, S. Li, J. Feng, B. Liu, W. Li
Summary: This review summarizes the research progress in developing advanced Co-based electrocatalysts based on ZIF-67, focusing on the influence of composition and structure engineering on efficient water splitting. Emphasis is also placed on techniques to improve stability and optimize performance.
MATERIALS TODAY CHEMISTRY
(2022)
Review
Materials Science, Multidisciplinary
Xiao-Tong Wang, Xiao-Feng Lin, Ding-Shan Yu
Summary: Metal-containing covalent organic frameworks (MCOFs) with abundant single-atom metal sites can effectively respond to various vital reactions. The advent of MCOFs provides a platform for the establishment of model catalysts with highly repetitive structure and design flexibility to develop highly selective and active photo/electrocatalysts.
Article
Chemistry, Physical
Darshil Chodvadiya, Madhavi H. Dalsaniya, Narayan N. Som, Brahmananda Chakraborty, Dominik Kurzydlowski, Krzysztof J. Kurzydlowski, Prafulla K. Jha
Summary: In this study, the structural and electronic properties as well as the hydrogen evolution reaction (HER) activity of pristine, vacancy, and carbon (C) doped o-B2N2 monolayer are investigated using first-principles based density functional theory. The introduction of vacancy and C doping modifies the structure and electronic properties of the monolayer and enhances the HER activity of o-B2N2. The HER activity is increased by 77.34%, 86.71%, and 83.59% for the BN vacancy defect, C doping at B and N sites, respectively, compared to the pristine monolayer. The modulation in the HER activity is attributed to charge redistribution after the introduction of vacancy and dopant. The results suggest that C doping turns o-B2N2 into a metal, which can be used as an electrocatalyst, while BN vacancy defected o-B2N2 monolayer is a semiconductor with a band gap of -1 eV and can be utilized as a photocatalyst for HER activity.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Business, Finance
Houjian Li, Qingman Li, Xinya Huang, Lili Guo
Summary: Green bond shocks and economic policy uncertainty are crucial factors influencing macroeconomic development and green finance. This paper uses the TVP-VAR framework to analyze monthly data from China to investigate the dynamic impact of green bond shocks and economic policy uncertainty on carbon prices. The results reveal that economic policy uncertainty and green bond shocks have significant time-varying and short-term effects on carbon prices. Additionally, there is heterogeneity in the impact of economic policy uncertainty and green bond shocks on carbon prices in Hubei and Guangdong. The robustness of the results is tested using the Bayesian VAR model. Based on the findings, policy suggestions are proposed, including improving the stability of economic policies, implementing green bond support policies, and expediting the development of a national unified carbon emission trading market.
INTERNATIONAL REVIEW OF FINANCIAL ANALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Hui Shen, Zhen Xu, Lingzheng Wang, Ying-Zi Han, Xianhu Liu, Sami Malola, Boon K. Teo, Hannu Hakkinen, Nanfeng Zheng
Summary: The study introduces a novel synthetic strategy to successfully synthesize tertiary chiral nanostructures with 100% optical purity. These structures consist of tri-metallic superatoms with inherent chirality and fair stability, driven by C-H...F interaction during self-assembly.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Organic
Catherine Fressigne, Alexandre Jean, Morgane Sanselme, Jerome Blanchet, Jacques Rouden, Jacques Maddaluno, Michael De Paolis
Summary: Cation-pi interactions between various onium salts, alkynes, and acetylene were studied, taking into account the substituents of the triple bond, the nature of the anions, and the polarity of the solvent. The stability of folded conformers of alkynyl onium salts, even substituted with electron-withdrawing groups, was confirmed through MP2 calculations and experiments. Thorough in silico studies using natural bonding orbital analysis were carried out to examine the contribution of these interactions on the alkyne electronic population. The results highlighted the intramolecular interactions from sulfonium salt tethered to phenylalkyne and high energy interactions of acetylene or phenylacetylene with phenyldimethylsulfonium chloride.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Fayan Li, Meng Du, Xin Xiao, Qiang Xu
Summary: This review highlights the latest research progress in developing metal-organic framework (MOF)-based nanoarrays for electrocatalysis. MOF-based nanoarrays possess tunable compositions, well-defined structures, and abundant active sites, enabling them to exhibit superior electrocatalytic performance in various reactions. The design, synthesis strategies, and applications of MOF-based nanoarrays in electrocatalytic reactions are summarized.
News Item
Chemistry, Multidisciplinary
Andrew I. Cooper
Summary: Thirty years ago, assembling molecular 'tectons' into organic networks with large chambers using directional non-covalent interactions - hydrogen bonds - laid the foundation for synthesizing porous functional materials through crystal engineering.
Article
Chemistry, Physical
Minli Yu, Ke Wang, Harrie Vredenburg
Summary: This study investigates different low-carbon hydrogen production methods, including green hydrogen, blue hydrogen, and aqua hydrogen. To promote the development of the low-carbon hydrogen economy, the paper explores current challenges, future directions, and policy recommendations.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Multidisciplinary
Alvaro Lobato, Miguel A. Salvado, J. Manuel Recio, Mercedes Taravillo, Valentin G. Baonza
Summary: This study examines the stability boundaries of diatomic bonds, which are found to correlate with topological descriptors of electron density fields. By utilizing chemical databases and quantum-mechanical calculations, a comprehensive analysis of diatomic bonds in the s-p main block of atoms was conducted, with a focus on the impact of substituents in C-C covalent bonds.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Fei Xiao, Taixin Liang, Zhenhui Liu, Rongjie Yang, Jianmin Li
Summary: This study investigated the hydrogen generation of activated aluminum composites prepared with different carbon materials and analyzed the regulation mechanism of carbon materials on the water reaction rate of the composites. The results showed that the composite prepared with graphene sheet materials had a faster hydrogen generation rate.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Organic
Xavier Bertrand, Mathieu Pucheault, Laurent Chabaud, Jean-Francois Paquin
Summary: The combination of methanesulfonic acid and potassium bifluoride is reported for the deoxyfluorination of tertiary alcohols, achieving high yields of the corresponding fluorides and investigating the reaction mechanism. The application of these conditions for the fluorination of ether and ester is also demonstrated.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Engineering, Environmental
Mohamed H. M. Ahmed, Nuno Batalha, Zeid A. ALOthman, Yusuke Yamauchi, Yusuf Valentino Kaneti, Muxina Konarova
Summary: This study reported the development of a novel multifunctional catalyst by modifying red mud for the co-pyrolysis of biomass and polyethylene. The hybrid catalyst exhibited higher porosity and catalytic activity, leading to an increase in the produced oil's H/Ceff value, making it a more suitable fuel.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Applied
Mohamed Hm Ahmed, Nuno Batalha, Jingsan Xu, Yusuke Yamauchi, Muxina Konarova
Summary: This study focuses on converting municipal solid waste into transportation fuel using novel catalysts. The research aims to improve conversion efficiency by controlling reaction pathways, and analyzes the relationship between reaction pathways and catalyst properties through C-13 NMR and GC-MS results.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Chemistry, Physical
Nuno Batalha, Jean-Dominique Comparot, Anthony Le Valant, Ludovic Pinard
Summary: This study investigates the hydrogenation mechanism of pyridine on different catalysts, revealing the impact of the intimacy between zeolite acid sites and metal sites on hydrogenation activity. The proximity between zeolite and metal plays a crucial role in enhancing catalytic performance through a bifunctional mechanism involving H-SP and an adsorbed unsaturated molecule.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Md M. Hasan, Nuno Batalha, Gabriel Fraga, Mohamed H. M. Ahmed, L. Pinard, Muxina Konarova, Steven Pratt, Bronwyn Laycock
Summary: Catalytic pyrolysis of plastic waste offers an economical and efficient way to convert plastic waste into high-quality products. The experiment showed that different zeolite catalysts have different effects on the conversion mechanism of plastic waste. The polymer structures and secondary reactions play important roles in product distribution, while the physicochemical properties and coke composition of zeolite catalysts are related to their deactivation processes.
SUSTAINABLE ENERGY & FUELS
(2022)
Article
Energy & Fuels
Luana B. Furtado, R. C. Nascimento, Fabio J. F. S. Henrique, Maria Jose O. C. Guimaraes, J. C. Rocha, J. A. C. Ponciano, Peter R. Seidl
Summary: Mild carbon steel is commonly used in construction, but requires efficient corrosion inhibitors in aggressive environments. Green compounds and multi-component formulations have been investigated for better protection.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2022)
Article
Chemistry, Physical
Fabio J. F. S. Henrique, Paulo A. S. Barbosa, Lucas M. Grisolia, Renata J. Silva, Claudio J. A. Mota
Summary: In this study, the reaction of epoxides with CO2 to form cyclic organic carbonates was successfully achieved using zeolite Y catalysts impregnated with metal iodides. Experimental results showed that impregnating zeolite Y with metal iodides can significantly increase the yield and selectivity of the reaction, while theoretical studies provided insights into the reaction mechanism and the importance of active centers.
MOLECULAR CATALYSIS
(2022)
Article
Chemistry, Physical
Alessandra V. K. Casanova, Catarina M. T. Cazanova, Luciana R. M. dos Santos, Marlon B. B. Almeida, Marcio Nele de Souza, Yiu Lau Lam, Marcelo M. Pereira
Summary: The fluidized catalytic cracking (FCC) process is an important method for converting heavy petroleum fractions into lighter hydrocarbons. This study proposes a new model catalytic test to evaluate the performance and activity of FCC catalysts. The experimental results indicate that this model test has the potential to be a practical screening tool for FCC catalysts.
REACTION KINETICS MECHANISMS AND CATALYSIS
(2022)
Article
Chemistry, Multidisciplinary
Christian R. S. Maior, Paulo C. S. Costa, Carolina B. P. Ligiero, Lygia de S. Moraes, Gustavo R. Sousa, Sidney G. Lima, Pierre M. Esteves, Paulo C. M. L. Miranda
Summary: Sixteen geosterane derivatives were synthesized in up to 57% overall yields using olefin cross-metathesis and Metal hydride H atom transfer or homogeneous hydrogenation reactions. The diastereomeric ratio reached 24:1 for the thermodynamic isomer and 7:1 for the other isomer in the hydrogenation step. The structures of assumed compounds in a geological sample were confirmed, and three new molecular fossils with an age of approximately 120 million years were discovered. The migration marking ability of carboxylic acids derived from geosteranes during oil migration was also demonstrated. This approach is not only useful for preparing geological biomarkers, but also for generating stereochemical diversity in molecular libraries for medicinal chemistry and natural product anticipation.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Applied
Y. Zhang, B. Louis
Summary: A modified ZSM-5 zeolite with high external surface area (ESA) and mild acidity was efficiently synthesized using a biochar obtained from algae as a hard template. The modified zeolite exhibited an ESA of 171 m2/g, compared to 121 m2/g for pristine ZSM-5. It also showed improved catalytic lifetime in the methanol-to-hydrocarbons (MTH) reaction, with a methanol conversion >95% for 16 hours, compared to only 10 hours for H-ZSM-5.
MICROPOROUS AND MESOPOROUS MATERIALS
(2023)
Article
Chemistry, Physical
Qianwen Zheng, Benoit Louis
Summary: Biomass waste was found to be a promising bio-template for modifying and potentially tailoring the properties of zeolites. Seven different types of abundant biomasses were evaluated for their role in zeolite crystallization. The presence of biomass mainly affected the surface acidic properties of the synthesized ZSM-5 zeolites. This study led to the synthesis of potential catalysts with high catalytic performance and provided insights for future investigations in controlling zeolite nucleation and growth.
Article
Chemistry, Inorganic & Nuclear
Hugo S. da Bragueroli, Pierre M. Esteves, Marcio C. S. de Mattos
Summary: A simple and efficient method for the synthesis of a CF2 group vicinal to a CX2 group has been developed using a double halofluorination reaction. The reaction was carried out using trihaloisocyanuric acid as a halogenating agent and Pyridine. (HF)x (Olah's reagent) as a fluoride source. The best yields and selectivity were obtained with tribromoisocyanuric acid.
JOURNAL OF FLUORINE CHEMISTRY
(2023)
Article
Chemistry, Physical
Mohamed H. M. Ahmed, Nuno Batalha, Mohammad Rezaul Karim, Ibrahim Abdullah Alnaser, Yusuke Yamauchi, Yusuf Valentino Kaneti, Muxina Konarova
Summary: The use of a trifunctional catalyst in the upgrading of bio-oil can reduce carbon losses and increase oil yield. The trifunctional catalyst developed in this study combines acidity, basicity, and reducibility to promote C-C coupling and deoxygenation reactions. The catalyst showed a significant increase in oil yield and selectivity towards alkenes and alkanes, as well as an apparent shift in the carbon number of oxygenates towards the fuel range.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Debora N. dos Santos, Fabio J. F. S. Henrique, Yiu Lau Lam, Marcelo M. Pereira
Summary: The use of oil refineries to convert second generation biomass into fuels is an effective way to reduce carbon footprint. By converting biomass under mild conditions using acetone, a new bio-petroleum composed of sugar acetals can be obtained without carbon loss. The study reveals the transformation pathway of DX and its interaction with hydrocarbons, providing insights for improving the catalysts and process of bio-petroleum conversion.
SUSTAINABLE ENERGY & FUELS
(2023)
Article
Materials Science, Multidisciplinary
Luana B. Furtado, Gabriel B. Leoni, R. C. Nascimento, Pedro Henrique C. Santos, Fabio J. F. S. Henrique, Maria Jose O. C. Guimaraes, Simone L. D. C. Brasil
Summary: Strong acids used in industrial applications can damage metallic structures, so corrosion inhibitors like Schiff bases are being investigated. Three novel Schiff bases were synthesized and confirmed through spectroscopy and nuclear magnetic resonance. These compounds combined with a surfactant showed improved efficiency of 93% in reducing corrosion in carbon steel samples.
MATERIALS RESEARCH-IBERO-AMERICAN JOURNAL OF MATERIALS
(2023)
