High-entropy alloys(HEAs)have emerged as promising catalysts for the hydrogen evolution reaction(HER)due to their compositional diversity and synergistic effects.In this study,machine learning-accelerated density func...High-entropy alloys(HEAs)have emerged as promising catalysts for the hydrogen evolution reaction(HER)due to their compositional diversity and synergistic effects.In this study,machine learning-accelerated density functional theory(DFT)calculations were employed to assess the catalytic performance of PtPd-based HEAs with the formula PtPdXYZ(X,Y,Z=Fe,Co,Ni,Cu,Ru,Rh,Ag,Au;X≠Y≠Z).Among 56 screened HEA(111)surfaces,PtPdRuCoNi(111)was identified as the most promising,with adsorption energies(E_(ads))between−0.50 and−0.60 eV and high d-band center of−1.85 eV,indicating enhanced activity.This surface showed the hydrogen adsorption free energy(ΔG_(H^(*)))of−0.03 eV for hydrogen adsorption,outperforming Pt(111)by achieving a better balance between adsorption and desorption.Machine learning models,particularly extreme gradient boosting regression(XGBR),significantly reduced computational costs while maintaining high accuracy(root-mean-square error,RMSE=0.128 eV).These results demonstrate the potential of HEAs for efficient and sustainable hydrogen production.展开更多
Functional superhydrophobic coatings have attracted considerable attention because of their potential for a wide range of applications.In this study,a novel cyclotetrasiloxane-based hybrid superhydrophobic modifier(F-...Functional superhydrophobic coatings have attracted considerable attention because of their potential for a wide range of applications.In this study,a novel cyclotetrasiloxane-based hybrid superhydrophobic modifier(F-D_(4))was prepared for the first time using a mild thiolene click reaction of 2,4,6,8-tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane(Vi-D_(4))with perfluorohexylethanethiol(PFOT)and mercaptopropyltrimethoxysilane(MPTMS)as the raw materials.Then,F-D_(4) was introduced into the fabric via a sol-gel process,resulting in a superhydrophobic fabric(F-D_(4)-Fabric).The surface characteristics of the modified fabric were determined using scanning electron microscopy(SEM),Fourier transform infrared spectroscopy(FTIR),X-ray photoelectron spectroscopy(XPS),and water contact angle(WCA).The coated fabrics have outstanding mechanical,physical,and chemical stability,and exhibit excellent self-cleaning and anti-fouling properties.Owing to its superhydrophobicity,FD_(4)-Fabric could efficiently separate a range of oil/water mixtures with a separation efficiency of up to 99.99%.The study showed that the modification strategy used in the dip-coating process greatly affected the superhydrophobicity of the cotton fabric,which is useful for oil/water separation and self-cleaning applications.展开更多
Polar microalgae are microscopic organisms adapted to survive in cold and extreme habitats such as sea-ice,glaciers,lakes and snow.These microorganisms provide an essential basis as primary food sources in polar ecosy...Polar microalgae are microscopic organisms adapted to survive in cold and extreme habitats such as sea-ice,glaciers,lakes and snow.These microorganisms provide an essential basis as primary food sources in polar ecosystems.Despite their ecological importance,polar microalgae remain relatively unexplored compared to their tropical and temperate counterparts,largely due to the practical challenges of obtaining and maintaining material from the harsh polar environments.However,interest has recently surged due to their specific adaptations and potential for utilization in various fields.This review explores the survival strategies of polar microalgae and their commercial applications in healthcare and other fields.We also consider the processes involved in processing polar microalgae,from cultivation to extraction of bioactive compounds.Our findings highlight a growing need for research in this rapidly evolving field to unlock the potential of polar microalgae in multiple fields.展开更多
基金the Second Century Fund(C2F),Chulalongkorn UniversityThailand Science Research and Innovation Fund Chulalongkorn University(No.IND_FF_68_054_2100_009)National Science and Technology Development Agency,Thailand,Hub of Knowledge funding,and the Mid-Career Research Grant 2024,National Research Council of Thailand(No.N42A670295).
文摘High-entropy alloys(HEAs)have emerged as promising catalysts for the hydrogen evolution reaction(HER)due to their compositional diversity and synergistic effects.In this study,machine learning-accelerated density functional theory(DFT)calculations were employed to assess the catalytic performance of PtPd-based HEAs with the formula PtPdXYZ(X,Y,Z=Fe,Co,Ni,Cu,Ru,Rh,Ag,Au;X≠Y≠Z).Among 56 screened HEA(111)surfaces,PtPdRuCoNi(111)was identified as the most promising,with adsorption energies(E_(ads))between−0.50 and−0.60 eV and high d-band center of−1.85 eV,indicating enhanced activity.This surface showed the hydrogen adsorption free energy(ΔG_(H^(*)))of−0.03 eV for hydrogen adsorption,outperforming Pt(111)by achieving a better balance between adsorption and desorption.Machine learning models,particularly extreme gradient boosting regression(XGBR),significantly reduced computational costs while maintaining high accuracy(root-mean-square error,RMSE=0.128 eV).These results demonstrate the potential of HEAs for efficient and sustainable hydrogen production.
基金financially supported by the National Key R&D Program of China(No.2022YFE0197000)。
文摘Functional superhydrophobic coatings have attracted considerable attention because of their potential for a wide range of applications.In this study,a novel cyclotetrasiloxane-based hybrid superhydrophobic modifier(F-D_(4))was prepared for the first time using a mild thiolene click reaction of 2,4,6,8-tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane(Vi-D_(4))with perfluorohexylethanethiol(PFOT)and mercaptopropyltrimethoxysilane(MPTMS)as the raw materials.Then,F-D_(4) was introduced into the fabric via a sol-gel process,resulting in a superhydrophobic fabric(F-D_(4)-Fabric).The surface characteristics of the modified fabric were determined using scanning electron microscopy(SEM),Fourier transform infrared spectroscopy(FTIR),X-ray photoelectron spectroscopy(XPS),and water contact angle(WCA).The coated fabrics have outstanding mechanical,physical,and chemical stability,and exhibit excellent self-cleaning and anti-fouling properties.Owing to its superhydrophobicity,FD_(4)-Fabric could efficiently separate a range of oil/water mixtures with a separation efficiency of up to 99.99%.The study showed that the modification strategy used in the dip-coating process greatly affected the superhydrophobicity of the cotton fabric,which is useful for oil/water separation and self-cleaning applications.
基金supported by the Sultan Mizan Antarctic Research Foundation Smart Partnership(YPASM)Initiative“Photoprotective Potential of Mycosporine-Like Amino Acids(MAAs)and Bioactive Compounds from Antarctic Microalgae on Human Keratinocytes”(Grant number:IMU R 289/2023)。
文摘Polar microalgae are microscopic organisms adapted to survive in cold and extreme habitats such as sea-ice,glaciers,lakes and snow.These microorganisms provide an essential basis as primary food sources in polar ecosystems.Despite their ecological importance,polar microalgae remain relatively unexplored compared to their tropical and temperate counterparts,largely due to the practical challenges of obtaining and maintaining material from the harsh polar environments.However,interest has recently surged due to their specific adaptations and potential for utilization in various fields.This review explores the survival strategies of polar microalgae and their commercial applications in healthcare and other fields.We also consider the processes involved in processing polar microalgae,from cultivation to extraction of bioactive compounds.Our findings highlight a growing need for research in this rapidly evolving field to unlock the potential of polar microalgae in multiple fields.
