Article
Chemistry, Multidisciplinary
Shiyu Ma, Youcai Lu, Hongchang Yao, Qingchao Liu, Zhongjun Li
Summary: In this study, cetyl trimethyl ammonium bromide (CTAB) was introduced into a dimethyl sulfoxide (DMSO) based Li-CO2 battery for the first time to enhance the CO2 reduction reaction. The addition of CTAB significantly improved the electrochemical performance by reducing the energy barrier for CO2 reduction and facilitating the growth of discharge products. This work provides a novel understanding of the CO2 reduction mechanism in organic systems and can contribute to the development of CO2 RR.
CHINESE CHEMICAL LETTERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Jia-Yi Chen, Man Li, Rong-Zhen Liao
Summary: In this study, density functional theory (DFT) calculations were performed to investigate the reaction mechanism and product selectivity of the iron tetraphenylporphyrin complex-catalyzed photochemical reduction of CO2 to CH4. The results showed that the initial catalyst Fe-p-TMA undergoes three reduction steps, accompanied by the dissociation of the chloride ion. The redox non-innocent tetraphenylporphyrin ligand plays an important role in the CO2 reduction, keeping the ferrous ion at a relatively high oxidation state.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Juan I. del Rio, Eduardo Perez, David Leon, Angel Martin, Maria D. Bermejo
Summary: The study found that under mild hydrothermal reaction conditions, the yields of formate were lower for ammonium bicarbonate and sodium bicarbonate compared to ammonium carbonate and ammonium carbamate. Experiments using ammonium carbamate as the starting material showed a significant impact of time and catalyst content on formate yield, ranging from 4% to 38%.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2021)
Article
Astronomy & Astrophysics
A. Levi, A. Bansal, D. Sasselov
Summary: This study focuses on the speciation of carbon outgassing in ocean exoplanets. Filled ice containing CH4 in the ternary system H2O-CO2-CH4 has the potential to transport carbon into the atmosphere. This transportation is facilitated by a high-pressure, water-rich mantle and can explain the low atmospheric CO2 concentrations.
ASTROPHYSICAL JOURNAL
(2023)
Article
Energy & Fuels
Siyao Wu, Yangqi Ji, Lei Wang, Xiaojun Wu, Hangxun Xu
Summary: The study focuses on using ultrathin graphdiyne oxide nanosheets to catalyze the conversion of CO2 to CH4, effectively inhibiting the hydrogen evolution reaction and achieving a high CH4 production rate of up to 87%.
Article
Chemistry, Multidisciplinary
Jun-Hao Zhou, Chen-Yue Yuan, Ya-Li Zheng, Hai-Jing Yin, Kun Yuan, Xiao-Chen Sun, Ya-Wen Zhang
Summary: In this study, a nanoporous hollow Au/CuO-CuO tandem catalyst was used for electrochemical CO2 reduction reaction, achieving high C-2 product selectivity and partial current density at different potentials with good stability. The superior performance was attributed to the site pair matching effect between CO/*CO-production sites (Au/CuO) and CO/*CO-reduction sites (CuO).
Article
Chemistry, Physical
Jenbrie M. Kessete, Taye B. Demissie, Ahmed M. Mohammed
Summary: This study investigated the reaction mechanisms for CO2 activation and reduction reactions using a hafnium complex as a catalyst through density functional theory calculations. The energy barriers for CO2 activation with different oxidation states of the catalyst were explored, along with the activation energies to release CO and HCOO- from the hafnium complex. The results indicated that the studied Hf complex effectively activates CO2 and potentially reduces the activated CO2 to CO.
Article
Soil Science
Alaa El-Hawwary, Kristof Brenzinger, Hyo Jung Lee, Annelies J. Veraart, Elly Morrien, Michael Schloter, Wim H. van der Putten, Paul L. E. Bodelier, Adrian Ho
Summary: For abandoned agricultural soils, the greenhouse gas emissions decrease over time. Carbon dioxide emissions increase in the early stages of agriculture abandonment, but decrease in the long term. Abandoned sites usually become methane sinks. Additionally, with manure amendment, nitrous oxide emissions significantly decrease over time.
BIOLOGY AND FERTILITY OF SOILS
(2022)
Review
Engineering, Environmental
Prangan Duarah, Dibyajyoti Haldar, V. S. K. Yadav, Mihir Kumar Purkait
Summary: The utilization of CO2 for the production of formic acid is seen as an effective method, but faces challenges such as high costs of electrocatalysts and selectivity towards the desired product. Numerous studies have been conducted to address these constraints.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Physical
Reginaldo J. Gomes, Chris Birch, Morgan M. Cencer, Chenyang Li, Seoung-Bum Son, Ira D. Bloom, Rajeev S. Assary, Chibueze V. Amanchukwu
Summary: This study demonstrates that the bulk solvation behavior in nonaqueous electrolytes can influence CO2 reduction reactions and product distribution. By investigating different tetrabutylammonium salts and two electrolyte systems with glyme ethers (e.g., 1,2 dimethoxyethane or DME) and dimethyl sulfoxide (DMSO) as a medium, it was found that ion pair formation is more prevalent in DME and depends on the anion type. Decreased ion pair formation in the electrolyte resulted in increased CO2 current densities and higher CO Faradaic efficiency at low overpotentials.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Reginaldo J. Gomes, Chris Birch, Morgan M. Cencer, Chenyang Li, Seoung-Bum Son, Ira D. Bloom, Rajeev S. Assary, Chibueze V. Amanchukwu
Summary: Selective CO2 capture and electrochemical conversion are important tools in the fight against climate change. However, the influence of ion solvation and solvent selection within nonaqueous electrolytes for efficient and selective CO2 reduction is unclear. This research demonstrates the control of CO2 reduction reaction and product distribution by manipulating the solvation behavior within the nonaqueous electrolyte, providing insights for the design of efficient and selective CO2 conversion electrolytes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Yahui Wu, Chunjun Chen, Xupeng Yan, Ruizhi Wu, Shoujie Liu, Jun Ma, Jianling Zhang, Zhimin Liu, Xueqing Xing, Zhonghua Wu, Buxing Han
Summary: In this study, Cu nanoparticles supported on N-doped carbon were designed for the electroreduction of CO2 to CH4. The catalyst exhibited outstanding performance with high FE and current density, providing a new approach for producing CH4.
Article
Chemistry, Inorganic & Nuclear
Lin Zhang, Yaqi Zhao, Chong Liu, Min Pu, Ming Lei, Zexing Cao
Summary: This study investigates the reaction mechanism of CO2 hydroboration catalyzed by a manganese pincer complex and explores the solvent and ligand effects on the catalytic activity. The findings provide insights for the fixation and conversion of CO2 and the design of new transition-metal catalysts.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Zixin Wang, Hui Wang
Summary: This study compares the kinetic characteristics of transfer hydrogenolysis of methyl orange catalyzed by polydopamine-supported Pt and Ru nanoparticles. The results demonstrate that changing the PGM elements in the nanocatalysts or the hydrogen-donating species can selectively switch the catalytic reaction among different mechanistically distinct pathways, resulting in distinctive kinetic features. This work not only sheds light on the mechanistic diversity of PGM-driven heterogeneous catalysis but also reveals the multimodal catalytic behaviors of supported PGM nanoparticles.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Hong-ping Zhang, Run Zhang, Chenghua Sun, Yan Jiao, Yaping Zhang
Summary: This study investigates the potential of a single Cu atom doped phosphorene catalyst for CO2 electroreduction and finds that it improves the performance by lowering limiting potential values. Through analysis, it is discovered that CH4 is the most likely product.
Article
Chemistry, Physical
Xiangying Lv, Yan-Bo Wu, Gang Lu
CATALYSIS SCIENCE & TECHNOLOGY
(2017)
Article
Chemistry, Physical
Xiangying Lv, Linhui Zhang, Beibei Sun, Zhi Li, Yan-Bo Wu, Gang Lu
CATALYSIS SCIENCE & TECHNOLOGY
(2017)
Article
Multidisciplinary Sciences
Gang Wang, Xiaodong Xin, Zehua Wang, Gang Lu, Yudao Ma, Lei Liu
NATURE COMMUNICATIONS
(2019)
Article
Multidisciplinary Sciences
Fuyuan Li, Dong Tian, Yifan Fan, Richmond Lee, Gang Lu, Yanli Yin, Baokun Qiao, Xiaowei Zhao, Ziwei Xiao, Zhiyong Jiang
NATURE COMMUNICATIONS
(2019)
Article
Nanoscience & Nanotechnology
Hai-Cai Huang, Jing Wang, Jun Li, Yang Zhao, Xiao-Xiao Dong, Jing Chen, Gang Lu, Yu-Xiang Bu, Shi-Bo Cheng
ACS APPLIED MATERIALS & INTERFACES
(2020)
Article
Chemistry, Organic
Tao Liu, Lingli Han, Jing Zhang, Gang Lu
Summary: Density functional theory calculations were used to investigate the competing pathways of rhodacycle intermediates in Rh(III)-catalyzed annulations of 2-alkenyl phenols and 2-alkenyl anilides with alkynes. The results reveal that the multiple pathways of eight-membered rhodacycles can be subtly tuned to give specific cyclic products. The formation of different cyclic products from 2-alkenyl phenols and 2-alkenyl anilides is governed by different pathways involving the dissociation of Rh-O bond and intramolecular olefin migratory insertion, respectively.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Yuxi Wang, Bo Qiu, Lingfei Hu, Gang Lu, Tao Xu
Summary: The reverse concerted metalation-deprotonation (CMD) process is proposed as a key step in rationalizing a newly discovered Rh-catalyzed C-C/olefin-H cascade reaction, which features redox-neutral conditions with 100% atom economy, broad substrate scope, and high efficiency (23 examples, up to 85% yield). DFT calculations suggest that the reverse CMD process is crucial in kinetic override of the normal cut and sew process, leading to the activation of olefinic C-H bonds as the predominant pathway.
Article
Chemistry, Organic
Lingfei Hu, Han Gao, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu
Summary: DFT calculations and EDA were used to investigate the mechanism and origin of ligand effects on stereoinversion in Pd-catalyzed synthesis of tetrasubstituted olefins. It was found that the steric properties of the ligands lead to different stereoselectivity-determining steps, with Pauli repulsion and polarization playing dominant roles in controlling stereochemistry in 1,2- and 1,3-migrations, respectively. Differences in Pauli repulsion and polarization between the two stereoselective transition states were further identified.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Organic
Lingfei Hu, Han Gao, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu
Summary: The mechanism and origins of regio- and stereoselectivities of Cu-catalyzed alkyne difunctionalization with CO2 and trialkyl boranes were computationally investigated. The results show that vicinal addition is disfavored due to the inertness of the alkyl copper intermediate. Favored geminal addition proceeds through a cationic Cu-mediated migration pathway. Energy decomposition analysis reveals that σ)(π Pauli repulsion is the dominant factor controlling stereoselectivity.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Organic
Han Gao, Lingfei Hu, Yanlei Hu, Xiangying Lv, Yan-Bo Wu, Gang Lu
Summary: The research investigates the influence of Cp-X ligands on Rh-catalyzed annulations with alkynes, finding that Cp-E promotes alkyne insertion by affecting the rate-determining step of the reaction. The acceleration effect of Cp-E is attributed to different factors depending on the electronic properties of the rhodacycle intermediates.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Multidisciplinary
Songjie Yu, Yinan Ai, Lingfei Hu, Gang Lu, Chunying Duan, Yue Ma
Summary: A palladium-catalyzed chemoselective coupling of readily available bicyclo[1.1.1]pentanyl alcohols (BCP-OH) with various halides has been developed, providing expedient access to a wide range of cyclobutanone and beta,gamma-enone skeletons through single or double C-C activation. The reaction exhibits broad substrate scope with both BCP-OH and halides, including natural product derivatives. Moreover, the dependence of reaction chemodivergence on base additive has been investigated, which is expected to enhance the reaction modes and synthetic potential of BCP-OH for preparing more complex molecules.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Organic
Yanlei Hu, Lingfei Hu, Han Gao, Xiangying Lv, Yan-Bo Wu, Gang Lu
Summary: The mechanism and origin of regioselectivity in Cu-catalyzed 1,2-hydrocarboxylation of 1,3-dienes with CO2 were investigated computationally. The results indicate that CO2 acts not only as a carboxylation reagent, but also plays a critical role in the formation of the key allyl copper intermediate. Energy decomposition analysis reveals that Pauli repulsion is the dominant factor controlling the regioselectivity of Cu-Bpin additions with 1,3-dienes.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Organic
Fang Huang, Xiaoxiao Tian, Fangao Hou, Yaping Xu, Gang Lu
Summary: The regioselectivity of nitrene-mediated allylic C-H amidations is determined by the nitrene insertion step, with the repulsive electrostatic interaction between the negatively charged nitrene N and allyl terminal C atoms identified as the dominant factor.
ORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Organic
Xiangying Lv, Xiaotian Zhang, Rongjian Sa, Fang Huang, Gang Lu
ORGANIC CHEMISTRY FRONTIERS
(2019)
Article
Chemistry, Multidisciplinary
Dominika N. Lastovickova, Huiling Shao, Gang Lu, Peng Liu, Christopher W. Bielawski
CHEMISTRY-A EUROPEAN JOURNAL
(2017)