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Maximizing biomass utilization: An integrated strategy for coproducing multiple chemicals

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Journal of Energy Chemistry 2025年第1期100卷 180-191页

作者： Byeongchan Ahn Sua Jo Jonggeol Na J.Jay Liu Young-Ju Kim Wangyun Won department of Chemical and Biological engineering Korea University department of Chemical engineering (Integrated process) Kyung Hee University department of Chemical engineering and Materials Science Ewha Womans University department of Chemical engineering Pukyong National University Resources engineering Plant Research department Korea Institute of Geoscience and Mineral Resources

Lignocellulosic biomass is one of the viable solutions to alleviate the global warming. However, the limited utilization of biomass majorly focused on cellulose and hemicellulose restricts the economic and environmental feasibilities. To cope with this issue, we proposed an integrated process of co-producing 1,6-hexanediol（1,6-HDO） with tetrahydrofuran and adipic acid from biomass, referred to as Strategy A. To compare the impacts of lignin upgrading and feedstock, Strategy B, which co-produces tetrahydrofuran alone, and Strategy C, which is the traditional route to produce 1,6-HDO from fossil fuels, were used. Heat networks are also designed to reduce operating costs and indirect carbon emissions due to energy consumption, saving 87% and 83% of the heat and cooling requirements, respectively, in Strategy A. The market competitiveness of Strategy A was evaluated by determining the minimum selling price through techno-economic analysis, and sustainability was thoroughly investigated by quantifying the environmental impacts through both midpoint and endpoint life-cycle assessments（LCAs）.Strategy A was found to be the most favorable both economically（USRDSCHARDOLLAR3,402/ton） and environmentally（-26.9 kg CO2eq.）. This indicates that lignin valorization is not only economically but also environmentally preferred. Finally, changes in economic and environmental feasibilities depending on economic, process, and environmental parameters were investigated using sensitivity and uncertainty analyses. The results of these analyses provide valuable insight into bio-based chemical production.

关键词： Carbon capture and utilization

Buried interface bridging for inverted cesium-formamidinium triiodide perovskite solar cells with long operational stability

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Science China Chemistry 2025年第01期 163-173页

作者： Chenhui Zhang Chunjun Liang Fulin Sun Ting Zhu Xinghai Huang Yuzhu Guo Xinyu Guo Kunyang Ge Dan Li Fangtian You Zhiqun He Key Laboratory of Luminescence and Optical Information Ministry of Education Institute of Optoelectronic TechnologyBeijing Jiaotong University department of Physics School of Physical Science and Engineering Beijing Jiaotong University

In the field of perovskite solar cells(PSCs), the research on defects in the buried interface has been relatively limited due to its non-exposure; however, this interface significantly impacts the performance enhancement of inverted PSCs. This study employs phenylethylammonium chloride(PEACl) molecules as a buffer layer to modify the buried interface of p-i-n structured PSCs,aiming to enhance the uniformity of self-assembled monolayers(SAMs) and facilitate the uniform nucleation and growth of perovskite films on the substrate. Furthermore, the introduction of the PEACl buffer layer effectively passivates defects at the bottom of the perovskite layer and notably enhances the crystal quality of the perovskite film by mitigating residual stress,thereby reducing nonradiative recombination loss. Following these optimizations, the MA-free PSCs treated with PEACl achieve a power conversion efficiency(PCE) of 24.11%, with significant improvements in storage, thermal stability, and operational stability. Particularly noteworthy is the device's performance in an unencapsulated state, whereas after 1,500 hours of continuous light operation stability testing, it retains 97% of its original efficiency. This study not only enriches the systematic understanding of the characteristics of the buried interface in PSCs but also contributes significantly to advancing the commercial production of perovskite photovoltaic technology.

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Nanosecond pulse and dual-wavelength Q-switched 1.5 μm fiber laser using MAX phase Cr2TiAlC2 saturable absorber

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optoelectronics Letters 2025年第1期21卷 7-12页

作者： Ahmed Shakir AL-HITI Hiba HASSAN department of Electrical engineering Faculty of Engineering University of Anbar department of Laser and optoelectronics engineering University of Technology-Iraq

We demonstrated a new type of MAX phase material, chromium titanium aluminum carbide（Cr2TiAlC2） polymer film, to generate a passively Q-switched erbium-doped fiber laser（EDFL）. The film thickness was measured to be around 45 μm, which was fabricated using the embedding method with polyvinyl alcohol（PVA） polymer as hoster. The saturable absorber（SA） film demonstrates a dual-wavelength passively Q-switched EDFL which operates at 1 531 nm and 1 560.19 nm, respectively. The Q-switching pulse duration could be varied from 2.46 μs to 770 ns, while the repetition rate varied from 92.76 kHz to 106.6 kHz with an increasing input pumping range from 154 mW to 300 mW. The maximum output power and pulse energy of 15.05 mW and 141.18 nJ were obtained at the maximum input power of 300 mW, respectively.

关键词： Saturable absorbers

Few-shot learning for screening 2D Ga2CoS4-x supported single-atom catalysts for hydrogen production

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Journal of Energy Chemistry 2025年第1期100卷 665-673页

作者： Nabil Khossossi Poulumi Dey department of Mechanical engineering (ME) Delft University of Technology

Hydrogen generation and related energy applications heavily rely on the hydrogen evolution reaction（HER）,which faces challenges of slow kinetics and high *** electrocatalysts,particularly single-atom catalysts （SACs） on two-dimensional （2D） materials,are *** study presents a few-shot machine learning （ML） assisted high-throughput screening of 2D septuple-atomic-layer Ga2CoS4-xsupported SACs to predict HER catalytic ***,density functional theory （DFT）calculations showed that 2D Ga2CoS4is inactive for ***,defective Ga2CoS4-x（x=0–0.25）monolayers exhibit excellent HER activity due to surface sulfur vacancies （SVs）,with predicted overpotentials （0–60 mV） comparable to or lower than commercial Pt/C,which typically exhibits an overpotential of around 50 m V in the acidic electrolyte,when the concentration of surface SV is lower than 8.3%.SVs generate spin-polarized states near the Fermi level,making them effective HER *** demonstrate ML-accelerated HER overpotential predictions for all transition metal SACs on 2D *** DFT data from 18 SACs,an ML model with high prediction accuracy and reduced computation time was *** intrinsic descriptor linking SAC atomic properties to HER overpotential was *** study thus provides a framework for screening SACs on 2D materials,enhancing catalyst design.

关键词： Hydrogen production Electrocatalyst 2D material Density functional theory Machine learning Surface sulfur vacancy

Ru/NiMnB spherical cluster pillar for highly proficient green hydrogen electrocatalyst at high current density

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Journal of Energy Chemistry 2025年第1期100卷 397-408页

作者： Md Ahasan Habib Shusen Lin Mehedi Hasan Joni Sumiya Akter Dristy Rutuja Mandavkar Jae-Hun Jeong Jihoon Lee department of Electronic engineering College of Electronics and Information Kwangwoon University

Advanced OER/HER electrocatalytic alternatives are crucial for the wide adaptation of green hydrogen ***,Ru/NiMnB spherical cluster pillar （SCP）,denoted as Ru/NiMnB,is synthesized using a combination of electro-deposition and hydrothermal *** investigation of Ru doping in the NiMnB matrix revealed significant improvements in electrocatalytic *** Ru/NiMnB SCPs demonstrate superior OER/HER activity with low overpotentials of 150 and 103 mV at 50mA/cm2in 1 M KOH,making them highly competitive with state-of-the-art ***,the Ru/NiMnB SCPs exhibit a low 2-E cell voltage of 2.80 V at ultra-high current density of 2,000 m A/cm2in 1 M KOH,outperforming the standard benchmark electrodes of RuO2||Pt/C,thereby positioning Ru/NiMnB as one of the best bifunctional *** SCPs exhibit exceptional high-current characteristics,stability and corrosion resistance,as evidenced by continuous operation at 1,000 mA/cm2high-current density for over 150 h in 6 M KOH at elevated temperatures under harsh industrial *** a small amount of Ru incorporation significantly enhances the electrocatalytic performances of NiMnB,attributed to increased active sites and improved intrinsic properties such as conductivity,adsorption/desorption capability and reaction ***,Ru/NiMnB SCPs present a promising bi-functional electrode concept for efficient green H2production.

关键词： Potassium hydroxide

Dynamic Multi-Graph Spatio-Temporal Graph Traffic Flow Prediction in Bangkok:An Application of a Continuous Convolutional Neural Network

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Computer Modeling in engineering & Sciences 2025年第1期142卷 579-607页

作者： Pongsakon Promsawat Weerapan Sae-dan Marisa Kaewsuwan Weerawat Sudsutad Aphirak Aphithana department of Civil engineering Faculty of EngineeringRamkhamkaeng UniversityBangkok10240Thailand department of Computer engineering Faculty of EngineeringRamkhamkaeng UniversityBangkok10240Thailand department of Statistics Faculty of ScienceRamkhamkaeng UniversityBangkok10240Thailand

The ability to accurately predict urban traffic flows is crucial for optimising city ***,various methods for forecasting urban traffic have been developed,focusing on analysing historical data to understand complex mobility *** learning techniques,such as graph neural networks(GNNs),are popular for their ability to capture spatio-temporal ***,these models often become overly complex due to the large number of hyper-parameters *** this study,we introduce Dynamic Multi-Graph Spatial-Temporal Graph Neural Ordinary Differential Equation Networks(DMST-GNODE),a framework based on ordinary differential equations(ODEs)that autonomously discovers effective spatial-temporal graph neural network(STGNN)architectures for traffic prediction *** comparative analysis of DMST-GNODE and baseline models indicates that DMST-GNODE model demonstrates superior performance across multiple datasets,consistently achieving the lowest Root Mean Square Error(RMSE)and Mean Absolute Error(MAE)values,alongside the highest *** the BKK(Bangkok)dataset,it outperformed other models with an RMSE of 3.3165 and an accuracy of 0.9367 for a 20-min interval,maintaining this trend across 40 and 60 ***,on the PeMS08 dataset,DMST-GNODE achieved the best performance with an RMSE of 19.4863 and an accuracy of 0.9377 at 20 min,demonstrating its effectiveness over longer *** Los_Loop dataset results further emphasise this model’s advantage,with an RMSE of 3.3422 and an accuracy of 0.7643 at 20 min,consistently maintaining superiority across all time *** numerical highlights indicate that DMST-GNODE not only outperforms baseline models but also achieves higher accuracy and lower errors across different time intervals and datasets.

关键词： Graph neural networks convolutional neural network deep learning dynamic multi-graph spatio-temporal

Wafer‑Scale Ag_(2)S‑Based Memristive Crossbar Arrays with Ultra‑Low Switching‑Energies Reaching Biological Synapses

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Nano-Micro Letters 2025年第3期17卷 328-339页

作者： Yuan Zhu Tomas Nyberg Leif Nyholm Daniel Primetzhofer Xun Shi Zhen Zhang division of Solid‑State Electronics Department of Electrical EngineeringUppsala University75121 UppsalaSweden department of Chemistry Uppsala UniversityUppsalaSweden department of Physics and Astronomy Uppsala UniversityUppsalaSweden State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050People’s Republic of China

Memristive crossbar arrays(MCAs)offer parallel data storage and processing for energy-efficient neuromorphic ***,most wafer-scale MCAs that are compatible with complementary metal-oxide-semiconductor(CMOS)technology still suffer from substantially larger energy consumption than biological synapses,due to the slow kinetics of forming conductive paths inside the memristive *** we report wafer-scale Ag_(2)S-based MCAs realized using CMOS-compatible processes at temperatures below 160℃.Ag_(2)S electrolytes supply highly mobile Ag+ions,and provide the Ag/Ag_(2)S interface with low silver nucleation barrier to form silver filaments at low energy *** further enhancing Ag+migration in Ag_(2)S electrolytes via microstructure modulation,the integrated memristors exhibit a record low threshold of approximately−0.1 V,and demonstrate ultra-low switching-energies reaching femtojoule values as observed in biological *** low-temperature process also enables MCA integration on polyimide substrates for applications in flexible ***,the intrinsic nonidealities of the memristive units for deep learning can be compensated by employing an advanced training *** impressive accuracy of 92.6%in image recognition simulations is demonstrated with the MCAs after the *** demonstrated MCAs provide a promising device option for neuromorphic computing with ultra-high energy-efficiency.

关键词： Wafer-scale Ag_(2)S films Reactive sputter Silver nucleation Ag^(+)migration Energy-efficient neuromorphic computing

Mechanistic insight into the synergy between nickel single atoms and nanoparticles on N-doped carbon for electroreduction of CO2

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Journal of Energy Chemistry 2025年第1期100卷 327-336页

作者： Mingdong Sun Wenwen Guan Cailing Chen Chao Wu Xiaoling Liu Biao Meng Tao Chen Yu Han Jun Wang Shibo Xi Yu Zhou State Key Laboratory of Materials-Oriented Chemical engineering College of Chemical Engineering Nanjing Tech University Advanced Membranes and Porous Materials Center Physical Sciences and Engineering Division King Abdullah University of Science and Technology Institute of Sustainability for Chemicals Energy and Environment A*STAR (Agency for Science Technology and Research) College of Materials Science and engineering Sichuan University

The synergy of single atoms （SAs） and nanoparticles （NPs） has demonstrated great potential in promoting the electrocatalytic carbon dioxide reduction reaction （CO2RR）;however,the rationalization of the SAs/NPs proportion remains one challenge for the catalyst ***,a Ni2+-loaded porous poly（ionic liquids）(PIL) precursor synthesized through the free radical self-polymerization of the ionic liquid monomer,1-allyl-3-vinylimidazolium chloride,was pyrolyzed to prepare the Ni,N co-doped carbon materials,in which the proportion of Ni SAs and NPs could be facilely modulated by controlling the annealing *** catalyst Ni-NC-1000 with a moderate proportion of Ni SAs and NPs exhibited high efficiency in the electrocatalytic conversion of CO2into *** Ni K-edge X-ray absorption near-edge structure （XANES） spectra and theoretical calculations were conducted to gain insight into the synergy of Ni SAs and *** charge transfer from Ni NPs to the surrounding carbon layer and then to the Ni SAs resulted in the electron-enriched Ni SAs active *** the electroreduction of CO2,the coexistence of Ni SAs and NPs strengthened the CO2activation and the affinity towards the key intermediate of*COOH,lowering the free energy for the potential-determining*CO2→*COOH step,and therefore promoted the catalysis efficiency.

关键词： Activation energy

Effect of a Carbon Fibre-steel Fibre-graphite Conductive Filler on the Electrothermal Properties of Cementitious Materials

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 141-151页

作者： FAN Yanan WEI Hong ZHENG Hongyong DU Hongxiu department of Architecture and Environmental engineering Taiyuan UniversityTaiyuan 030032China College of Civil engineering Taiyuan University of TechnologyTaiyuan 030032China

Carbon fibre,steel fibre and graphite were used as conductive fillers to prepare cementitious materials with excellent electrothermal *** electrically conductive cementitious materials with different volume dosages were analysed through compressive and flexural strength,electrochemical impedance spectroscopy and temperature rise *** equivalent circuit model was established to study the electrically conductive heat generation mechanism in the electrically conductive cementitious *** results indicate that the mechanical properties of cementitious composite materials with a ternary conductive phase are better than those of pristine cementitious materials because the fibrous filler improves their mechanical ***,the incorporation of graphite in the material reduces its *** fibrous and point-like conductive phase materials into the cementitious material enhances the overall conductive pathway and considerably reduces the electrical resistance of the cementitious material,enhancing its conductive *** volume ratios of carbon fibre,steel fibre and graphite that achieve an optimal complex doping in the cementitious material were 0.35%,0.6%and 6%,*** was determined using the mutation point of each circuit element parameter as the percolation *** addition,at a certain safety voltage,there is a uniform change between the internal and surface temperatures of the conductive cementitious material,and the heating effect in this materialis is considerably better than that in the pristine cementitious material.

关键词： cementitious composites conductive fillers electrothermal properties electrochemical impedance spectroscopy