Modelling Photocatalytic N2 Reduction: Where We Stand and Where We Are Going
ChemSusChem. 2024 Mar 24:e202301730. doi: 10.1002/cssc.202301730. Online ahead of print.ABSTRACTArtificial ammonia synthesis via the Haber-Bosch process is environmentally problematic due to the high energy consumption and corresponding CO2 emissions, produced during the reaction and before hand in hydrogen production upon methane steam reforming. Photocatalytic nitrogen fixation as a greener alternative to the conventional Haber-Bosch process enables us to perform nitrogen reduction reaction (NRR) under mild conditions, harnessing light as the energy source. Herein, we systematically review first-principles calculations u...
Source: ChemSusChem - March 25, 2024 Category: Chemistry Authors: Taja Žibert Bla ž Likozar Matej Hu š Source Type: research

Cerium Doping-Induced Enrichment of Ni 3 S 4  Phase for Boosting Oxygen Evolution Reaction
In this study, a Ce-doped Ni3S4 catalyst (Ce0.2-Ni3S4) was synthesized through a one-step solvothermal method, where the doped rare earth element Ce induced the transformation of NiS to Ni3S4. The Ce0.2-Ni3S4 catalyst exhibited excellent OER performance in 1 M KOH. At a current density of 10 mA cm-2, it showed a low overpotential of 230 mV and a low Tafel slope of 52.39 mV dec-1. Long-term OER tests at the same potential lasted for 24 h without significant loss of current density. This work introduces a novel method of Ce element doping for modifying transition metal sulfides, providing new insights into the effective util...
Source: ChemSusChem - March 25, 2024 Category: Chemistry Authors: Chang Gao Lu Pan Hong Wang Hui Guo Saad Melhi Mohammed A Amin Jianjian Lin Source Type: research

Reactive eutectic media for lignocellulosic biomass fractionation
This study introduces an alternative approach towards lignocellulosic biomass fractionation. For this purpose, reactive eutectic media (REM) based on ammonium formate and different organic acids are investigated, possible products are identified, and the REM are employed for lignin extraction and terminal isolation of cellulose pulp from beech wood. The method promises a considerable process intensification by simultaneous separation of high purity cellulose pulp, lignin isolation as a cationically modified species, and production of value-added chemicals from reaction products of the REM. This study puts a further focus o...
Source: ChemSusChem - March 24, 2024 Category: Chemistry Authors: Helen Schneider Nataliia Doskaliuk Ella Buchner Markus Antonietti Svitlana Filonenko Source Type: research

Mo3S13 Chalcogel: A High-Capacity  Electrode for Conversion-Based Li-ion Batteries
ChemSusChem. 2024 Mar 22:e202400084. doi: 10.1002/cssc.202400084. Online ahead of print.ABSTRACTDespite large theoretical energy densities, metal-sulfide electrodes for energy storage systems face several limitations that impact the practical realization. Here, we present the solution-processable room temperature (RT) synthesis, local structures, and application of a sulfur-rich Mo3S13 chalcogel as a conversion-based electrode for lithium-sulfide batteries (LiSBs). The structure of the amorphous Mo3S13 chalcogel is derived through operando Raman spectroscopy, synchrotron X-ray pair distribution function (PDF), X-ray absorp...
Source: ChemSusChem - March 23, 2024 Category: Chemistry Authors: Taohedul Islam Subrata Chandra Roy Sahar Bayat Misganaw Adigo Weret Justin M Hoffman Keerthan R Rao Conrad Sawicki Jing Nie Robiul Alam Oluwaseun Oketola Carrie L Donley Amar Kumbhar Renfei Feng Kamila M Wiaderek Chad Risko Ruhul Amin Saiful M Islam Source Type: research

Mo3S13 Chalcogel: A High-Capacity  Electrode for Conversion-Based Li-ion Batteries
ChemSusChem. 2024 Mar 22:e202400084. doi: 10.1002/cssc.202400084. Online ahead of print.ABSTRACTDespite large theoretical energy densities, metal-sulfide electrodes for energy storage systems face several limitations that impact the practical realization. Here, we present the solution-processable room temperature (RT) synthesis, local structures, and application of a sulfur-rich Mo3S13 chalcogel as a conversion-based electrode for lithium-sulfide batteries (LiSBs). The structure of the amorphous Mo3S13 chalcogel is derived through operando Raman spectroscopy, synchrotron X-ray pair distribution function (PDF), X-ray absorp...
Source: ChemSusChem - March 23, 2024 Category: Chemistry Authors: Taohedul Islam Subrata Chandra Roy Sahar Bayat Misganaw Adigo Weret Justin M Hoffman Keerthan R Rao Conrad Sawicki Jing Nie Robiul Alam Oluwaseun Oketola Carrie L Donley Amar Kumbhar Renfei Feng Kamila M Wiaderek Chad Risko Ruhul Amin Saiful M Islam Source Type: research

Unveiling the Role of Electrografted Carbon-Based Electrodes for Vanadium Redox Flow Batteries
This study systematically explores the influence of structural and functional groups on the vanadium reactions at carbon surfaces. Pyridine, phenol and butyl containing groups are attached to graphite felt electrodes. To establish a unique comparison between the model and real-world behavior, both non-activated and commercially used thermally activated felts serve as a substrate. Results reveal enhanced half-cell performance in non-activated felt with introduced hydrophilic functionalities. However, this cannot be transferred to the thermally activated felt. Beyond a decrease in electrochemical activity, a reduced long-ter...
Source: ChemSusChem - March 22, 2024 Category: Chemistry Authors: Matthias Kogler Nikolai Rauh Soniya Gahlawat Muhammad Adeel Ashraf Markus Ostermann Markus Valtiner Christian M Pichler Source Type: research

Aerobic Oxidative Carboxylation of Styrene over Cobalt Catalysts: Integrated CO2 Capture and Conversion
ChemSusChem. 2024 Mar 22:e202301567. doi: 10.1002/cssc.202301567. Online ahead of print.ABSTRACTDirect synthesis of cyclic carbonates by oxidative carboxylation of alkenes with CO2 and O2 represents a sustainable and carbon-neutral approach to CO2 utilization, which is, however, still a largely unexplored field. Here we develop a single-atom catalyst (SAC) Co-N/O-C as the earth-abundant metal catalyst for the oxidative carboxylation of styrene with CO2 and O2. Remarkably, even using the flue gas as an impure CO2 and O2 source, desired cyclic carbonate could be obtained with moderate productivity, which shows the potential ...
Source: ChemSusChem - March 22, 2024 Category: Chemistry Authors: Junjun Chen Xiaofang Liu Peipei Zhang Shunan Zhang Haozhi Zhou Lin Li Hu Luo Hui Wang Yuhan Sun Source Type: research

Unveiling the Role of Electrografted Carbon-Based Electrodes for Vanadium Redox Flow Batteries
This study systematically explores the influence of structural and functional groups on the vanadium reactions at carbon surfaces. Pyridine, phenol and butyl containing groups are attached to graphite felt electrodes. To establish a unique comparison between the model and real-world behavior, both non-activated and commercially used thermally activated felts serve as a substrate. Results reveal enhanced half-cell performance in non-activated felt with introduced hydrophilic functionalities. However, this cannot be transferred to the thermally activated felt. Beyond a decrease in electrochemical activity, a reduced long-ter...
Source: ChemSusChem - March 22, 2024 Category: Chemistry Authors: Matthias Kogler Nikolai Rauh Soniya Gahlawat Muhammad Adeel Ashraf Markus Ostermann Markus Valtiner Christian M Pichler Source Type: research

Leveraging Direct Pyrolysis for the Synthesis of 10 nm Monodispersed Fe3O4/Fe3C NPS@Carbon to Improve Supercapacitance in Acidic Electrolyte
ChemSusChem. 2024 Mar 21:e202400085. doi: 10.1002/cssc.202400085. Online ahead of print.ABSTRACTThe prevailing practice advocates pre-oxidation of electrospun Fe-salt/polymer nanofibers (Fe-salt/polymer Nf) before pyrolysis as advantageous in the production of high-performance FeOx@carbon nanofibers supercapacitors (FeOx@C). However, our study systematically challenges this notion by demonstrating that pre-oxidation facilitates the formation of polydispersed and large FeOx nanoparticles (FeOx@CI-DA) through "external" Fe3+ Kirkendall diffusion from carbon, resulting in subpar electrochemical properties. To address this, di...
Source: ChemSusChem - March 21, 2024 Category: Chemistry Authors: Richard Appiah-Ntiamoah Hern Kim Source Type: research

A Hybrid-salt Strategy for Modulating the Li+ Solvation Sheathes and Constructing Robust SEI in Non-flammable Electrolyte Lithium Metal Batteries
ChemSusChem. 2024 Mar 21:e202400210. doi: 10.1002/cssc.202400210. Online ahead of print.ABSTRACTThe electrode interface determines the performance of an electrochemical energy storage system. Using traditional electrolyte organic additives and high-concentration electrolyte emerging recently are two generally strategies for improving the electrode interface. Here, a hybrid-salt electrolyte strategy is proposed for constructing the stable electrode interface. Through the solubilization effect of phosphate ester on LiNO3, a hybrid-salts-based non-flammable phosphate ester electrolyte system (HSPE) with LiPF6 and LiNO3 as Li ...
Source: ChemSusChem - March 21, 2024 Category: Chemistry Authors: Kai Lan Xinan Zhang Xinxin Yang Qing Hou Ruming Yuan Mingseng Zheng Jingmin Fan Xinping Qiu Quanfeng Dong Source Type: research

Efficient Ternary Organic Solar Cells with Suppressed Nonradiative Recombination and Fine-Tuned Morphology via IT-4F as Guest Acceptor
In this study, the ternary OSCs comprising PM6:BTP-eC9:IT-4F demonstrate a superior efficiency of 18.2%. Notably, the utilization of the medium bandgap acceptor IT-4F as the third component results in an exceptionally low nonradiative recombination energy loss of 0.28 V. The desirable energy level cascade is formed among PM6, BTP-eC9, and IT-4F due to the low-lying HOMO and LUMO energy levels of IT-4F. More importantly, the VOC of PM6:BTP-eC9:IT-4F OSCs can reach as high as 0.86 V, which is higher than both binary OSCs without sacrificing JSC and FF. Besides, this strategy proved that IT-4F can not only broaden the absorpt...
Source: ChemSusChem - March 21, 2024 Category: Chemistry Authors: Yang Zhang Tianhuan Huang Nan Weng Yiwen Chen Dongjie Wang Zheling Zhang Qiaogan Liao Jian Zhang Source Type: research

Leveraging Direct Pyrolysis for the Synthesis of 10 nm Monodispersed Fe3O4/Fe3C NPS@Carbon to Improve Supercapacitance in Acidic Electrolyte
ChemSusChem. 2024 Mar 21:e202400085. doi: 10.1002/cssc.202400085. Online ahead of print.ABSTRACTThe prevailing practice advocates pre-oxidation of electrospun Fe-salt/polymer nanofibers (Fe-salt/polymer Nf) before pyrolysis as advantageous in the production of high-performance FeOx@carbon nanofibers supercapacitors (FeOx@C). However, our study systematically challenges this notion by demonstrating that pre-oxidation facilitates the formation of polydispersed and large FeOx nanoparticles (FeOx@CI-DA) through "external" Fe3+ Kirkendall diffusion from carbon, resulting in subpar electrochemical properties. To address this, di...
Source: ChemSusChem - March 21, 2024 Category: Chemistry Authors: Richard Appiah-Ntiamoah Hern Kim Source Type: research

A Hybrid-salt Strategy for Modulating the Li+ Solvation Sheathes and Constructing Robust SEI in Non-flammable Electrolyte Lithium Metal Batteries
ChemSusChem. 2024 Mar 21:e202400210. doi: 10.1002/cssc.202400210. Online ahead of print.ABSTRACTThe electrode interface determines the performance of an electrochemical energy storage system. Using traditional electrolyte organic additives and high-concentration electrolyte emerging recently are two generally strategies for improving the electrode interface. Here, a hybrid-salt electrolyte strategy is proposed for constructing the stable electrode interface. Through the solubilization effect of phosphate ester on LiNO3, a hybrid-salts-based non-flammable phosphate ester electrolyte system (HSPE) with LiPF6 and LiNO3 as Li ...
Source: ChemSusChem - March 21, 2024 Category: Chemistry Authors: Kai Lan Xinan Zhang Xinxin Yang Qing Hou Ruming Yuan Mingseng Zheng Jingmin Fan Xinping Qiu Quanfeng Dong Source Type: research

Rapid Thiophene-Annulations via Na2S: Powerful Tools for Facile Synthesis of Dithienobenzothiadiazoles and D18-Cl Polymer for Organic Solar Cells
ChemSusChem. 2024 Mar 20:e202400055. doi: 10.1002/cssc.202400055. Online ahead of print.ABSTRACTA new synthetic route for rapidly constructing dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-c][1,2,5]thiadiazoles via a Na2S promoted thiophene-annulation was developed and successfully applied to cost-effective synthesis of D18-Cl polymer that has attracted a great attention as a highly efficient polymer donor in the field of bulk-heterojunction polymer solar cells. A commercially available 4,7-dihalo-5,6-difluorobenzo[c][1,2,5]thiadiazole was converted into a range of the corresponding 4,7-dialkynlated compounds under Sonogashira ...
Source: ChemSusChem - March 20, 2024 Category: Chemistry Authors: Jun Mo Kang Shin Yeong Kim Kyukwan Zong Source Type: research

Insight into the Critical Role of Oxygen Vacancies and V=O Bonds Length in V2O5 for Advanced Zinc Ion Storage
ChemSusChem. 2024 Mar 20:e202400189. doi: 10.1002/cssc.202400189. Online ahead of print.ABSTRACTDue to the larger sizes and stronger positive polarity of Zn2+ than dominant univalent ions, Zn2+ sluggish diffusion within V2O5 host electrodes is an essential issue in developing aqueous zinc-ion batteries (ZIBs) of higher energy densities. Herein, a high-performance V2O5 cathode was developed through subtly synthesizing and tuning V2O5 with oxygen vacancies-enriched and elongated apical V=O1 bond by altering the gradient concentration of hydrazine hydrate in the gas-solid reaction system. This strategy can enhance both intrin...
Source: ChemSusChem - March 20, 2024 Category: Chemistry Authors: Zhaojie Wang Ruidong Ding Jingrui Zhang Qi Hou Hongyu Chen Shuxian Wei Siyuan Liu Xiaoqing Lu Source Type: research