Türkiye is located in a seismically active region,where the Anatolian,African,and Arabian tectonic plates converge.High seismic hazards cause the region to be struck repeatedly by major earthquakes.On February 06...Türkiye is located in a seismically active region,where the Anatolian,African,and Arabian tectonic plates converge.High seismic hazards cause the region to be struck repeatedly by major earthquakes.On February 06,2023,a devastating M_(W)7.7 earthquake struck Türkiye at 01:17 am local time(01:17 UTC).In this regard,near and far-field ground motion data within the distance of 120 km are compiled and later characterized to identify the key ground motion intensity measures.Additionally,the vertical components of ground motions were examined to capture the complete three-dimensional nature of the seismic event.Moreover,the effect of Pulse-Like(PL)and Non-Pulse-Like(NPL)ground motion on a representative RC frame structure built as per the Türkiye code was investigated.The results indicate that PL behavior was observed in both horizontal and vertical components of ground motions and PL behavior were noted both near the epicenter and at higher distances from the epicenter.Moreover,the ratio of the peak vertical acceleration to peak horizontal acceleration at certain stations was found to be close to 1.Finally,the non-linear time history analysis of the representative reinforced concrete frame structure for ground motions recorded at stations located equidistant from the epicenter,indicated that PL ground motions led to more significant damage compared to NPL ground motions.展开更多
Phase engineering is an efficient strategy for enhancing the kinetics of electrocatalytic reactions.Herein,phase engineering was employed to prepare high‐performance phosphorous‐doped biphase(1T/2H)MoS_(2)(P‐BMS)na...Phase engineering is an efficient strategy for enhancing the kinetics of electrocatalytic reactions.Herein,phase engineering was employed to prepare high‐performance phosphorous‐doped biphase(1T/2H)MoS_(2)(P‐BMS)nanoflakes for hydrogen evolution reaction(HER).The doping of MoS_(2)with P atoms modifies its electronic structure and optimizes its electrocatalytic reaction kinetics,which significantly enhances its electrical conductivity and structural stability,which are verified by various characterization tools,including X‐ray photoelectron spectroscopy,high‐resolution transmission electron microscopy,X‐ray absorption near‐edge spectroscopy,and extended X‐ray absorption fine structure.Moreover,the hierarchically formed flakes of P‐BMS provide numerous catalytic surface‐active sites,which remarkably enhance its HER activity.The optimized P‐BMS electrocatalysts exhibit low overpotentials(60 and 72 mV at 10 mA cm^(−2))in H_(2)SO_(4)(0.5 M)and KOH(1.0 M),respectively.The mechanism of improving the HER activity of the material was systematically studied using density functional theory calculations and various electrochemical characterization techniques.This study has shown that phase engineering is a promising strategy for enhancing the H*adsorption of metal sulfides.展开更多
A segmented basis set of quadruple zeta valence quality plus polarization functions(QZP)for H through Xe was developed to be used in conjunction with the ZORA Hamiltonian.This set was augmented with diffuse functions ...A segmented basis set of quadruple zeta valence quality plus polarization functions(QZP)for H through Xe was developed to be used in conjunction with the ZORA Hamiltonian.This set was augmented with diffuse functions to describe electrons farther away from the nuclei adequately.Using the ZORA-CCSD(T)/QZP-ZORA theoretical model,atomic ionization energies and bond lengths,harmonic vibrational frequencies,and atomization energies of some molecules were calculated.The addition of core-valence corrections has been shown to improve the agreement between theoretical and experimental results for molecular properties.For atomization energies,a similar observation emerges when considering spin-orbit couplings.With the augmented QZP-ZORA set,static mean dipole polarizabilities of a set of atoms were calculated and compared with previously published recommended and experimental values.Performance evaluations of the ZORA and Douglas–Kroll–Hess Hamiltonians were made for each property studied.展开更多
文摘Türkiye is located in a seismically active region,where the Anatolian,African,and Arabian tectonic plates converge.High seismic hazards cause the region to be struck repeatedly by major earthquakes.On February 06,2023,a devastating M_(W)7.7 earthquake struck Türkiye at 01:17 am local time(01:17 UTC).In this regard,near and far-field ground motion data within the distance of 120 km are compiled and later characterized to identify the key ground motion intensity measures.Additionally,the vertical components of ground motions were examined to capture the complete three-dimensional nature of the seismic event.Moreover,the effect of Pulse-Like(PL)and Non-Pulse-Like(NPL)ground motion on a representative RC frame structure built as per the Türkiye code was investigated.The results indicate that PL behavior was observed in both horizontal and vertical components of ground motions and PL behavior were noted both near the epicenter and at higher distances from the epicenter.Moreover,the ratio of the peak vertical acceleration to peak horizontal acceleration at certain stations was found to be close to 1.Finally,the non-linear time history analysis of the representative reinforced concrete frame structure for ground motions recorded at stations located equidistant from the epicenter,indicated that PL ground motions led to more significant damage compared to NPL ground motions.
基金National Natural Science Foundation of China,Grant/Award Number:NSFC‐U1904215National Research Foundation of Korea,Grant/Award Number:2021R1A2C2012127。
文摘Phase engineering is an efficient strategy for enhancing the kinetics of electrocatalytic reactions.Herein,phase engineering was employed to prepare high‐performance phosphorous‐doped biphase(1T/2H)MoS_(2)(P‐BMS)nanoflakes for hydrogen evolution reaction(HER).The doping of MoS_(2)with P atoms modifies its electronic structure and optimizes its electrocatalytic reaction kinetics,which significantly enhances its electrical conductivity and structural stability,which are verified by various characterization tools,including X‐ray photoelectron spectroscopy,high‐resolution transmission electron microscopy,X‐ray absorption near‐edge spectroscopy,and extended X‐ray absorption fine structure.Moreover,the hierarchically formed flakes of P‐BMS provide numerous catalytic surface‐active sites,which remarkably enhance its HER activity.The optimized P‐BMS electrocatalysts exhibit low overpotentials(60 and 72 mV at 10 mA cm^(−2))in H_(2)SO_(4)(0.5 M)and KOH(1.0 M),respectively.The mechanism of improving the HER activity of the material was systematically studied using density functional theory calculations and various electrochemical characterization techniques.This study has shown that phase engineering is a promising strategy for enhancing the H*adsorption of metal sulfides.
基金the financial support of Conselho Nacional de Desenvolvimento Científico e Tecnológico and Coordenacao de Aperfeic oamento de Pessoal de Nível Superior (Brazilian Agencies)。
文摘A segmented basis set of quadruple zeta valence quality plus polarization functions(QZP)for H through Xe was developed to be used in conjunction with the ZORA Hamiltonian.This set was augmented with diffuse functions to describe electrons farther away from the nuclei adequately.Using the ZORA-CCSD(T)/QZP-ZORA theoretical model,atomic ionization energies and bond lengths,harmonic vibrational frequencies,and atomization energies of some molecules were calculated.The addition of core-valence corrections has been shown to improve the agreement between theoretical and experimental results for molecular properties.For atomization energies,a similar observation emerges when considering spin-orbit couplings.With the augmented QZP-ZORA set,static mean dipole polarizabilities of a set of atoms were calculated and compared with previously published recommended and experimental values.Performance evaluations of the ZORA and Douglas–Kroll–Hess Hamiltonians were made for each property studied.
