A density functional plane-wave pseudopotential method is used to study the doping mechanisms of impurity defects(BiBa, YTi) in BaTiO3- BiYO3. Single BiBa and YTi impurities have little structure distortion. Bi form...A density functional plane-wave pseudopotential method is used to study the doping mechanisms of impurity defects(BiBa, YTi) in BaTiO3- BiYO3. Single BiBa and YTi impurities have little structure distortion. Bi forms ionic bond with nearby O atom in single Bi impurity, Y formed [YO6] octahedral in single Y impurity. However, in the co-doped BiB~ and Yr~ structure, Bi formed three valence bonds with nearby O atom, which causes the large structure distortion. The doped ion makes the mobile of Ti4~ difficult and loss local ferroelectricity, which will broaden the dielectric constant temperature curve and increase the temperature stability of BaTiO3 ceramic matrix.展开更多
Purpose This study aimed to determine the independent effect of the curved carbon-fiber plate in the Nike Vaporfly 4%shoe on running economy and running biomechanics.Methods Fifteen healthy male runners completed a me...Purpose This study aimed to determine the independent effect of the curved carbon-fiber plate in the Nike Vaporfly 4%shoe on running economy and running biomechanics.Methods Fifteen healthy male runners completed a metabolic protocol and a biomechanics protocol.In both protocols participants wore 2 different shoes,an intact Nike Vaporfly 4%(VF_(intact))and a cut Nike Vaporfly 4%(VF_(cut)).The VF_(cut) had 6 medio-lateral cuts through the carbon-fiber plate in the forefoot to reduce the effectiveness of the plate.In the metabolic protocol,participants ran at 14 km/h for 5 min,twice with each shoe,on a force-measuring treadmill while we measured metabolic rate.In the biomechanics protocol,participants ran across a runway with embedded force plates at 14 km/h.We calculated running economy,kinetics,and lower limb joint mechanics.Results Running economy did not significantly differ between shoe conditions(on average,0.55%±1.77%(mean±SD))worse in the VF_(cut) compared to the VF_(intact);95%confidence interval(-1.44%to 0.40%).Biomechanical differences were only found in the metatarsophalangeal(MTP)joint with increased MTP dorsiflexion angle,angular velocity,and negative power in the VF_(cut).Contact time was 1%longer in the VF_(intact).Conclusion Cutting the carbon-fiber plate and reducing the longitudinal bending stiffness did not have a significant effect on the energy savings in the Nike Vaporfly 4%.This suggests that the plate's stiffening effect on the MTP joint plays a limited role in the reported energy savings,and instead savings are likely from a combination and interaction of the foam,geometry,and plate.展开更多
S-doped and Al-doped GaSe crystals are promising materials for their applications in nonlinear frequency conversion devices. The optical and defect properties of pure, S-doped, and Al-doped GaSe crystals were studied ...S-doped and Al-doped GaSe crystals are promising materials for their applications in nonlinear frequency conversion devices. The optical and defect properties of pure, S-doped, and Al-doped GaSe crystals were studied by using photoluminescence(PL) and Fourier transform infrared spectroscopy(FT-IR). The micro-topography of(0001) face of these samples was observed by using scanning electron microscope(SEM) to investigate the influence of the doped defects on the intralayer and interlayer chemical bondings. The doped S or Al atoms form the SSe^0 or AlGa^+1) substitutional defects in the layer GaSe structure, and the positive center of AlGa-^+1 could induce defect complexes. The incorporations of S and Al atoms can change the optical and mechanical properties of the GaSe crystal by influencing the chemical bonding of the layer structure. The study results may provide guidance for the crystal growth and further applications of S-doped and Al-doped GaSe crystals.展开更多
Doped two-dimensional(2D)materials hold significant promise for advancing many technologies,such as microelectronics,optoelectronics,and energy storage.Herein,n-type 2D oxidized Si nanosheets,namely n-type siloxene(n-...Doped two-dimensional(2D)materials hold significant promise for advancing many technologies,such as microelectronics,optoelectronics,and energy storage.Herein,n-type 2D oxidized Si nanosheets,namely n-type siloxene(n-SX),are employed as Li-ion battery anodes.Via thermal evaporation of sodium hypophosphite at 275°C,P atoms are effectively incorporated into siloxene(SX)without compromising its 2D layered morphology and unique Kautsky-type crystal structure.Further,selec-tive nucleophilic substitution occurs,with only Si atoms being replaced by P atoms in the O_(3)≡Si-H tetrahedra.The resulting n-SX possesses two delocalized electrons arising from the presence of two electron donor types:(i)P atoms residing in Si sites and(ii)H vacancies.The doping concentrations are varied by controlling the amount of precursors or their mean free paths.Even at 2000 mA g^(-1),the n-SX electrode with the optimized doping concentration(6.7×10^(19) atoms cm^(-3))delivers a capacity of 594 mAh g^(-1) with a 73%capacity retention after 500 cycles.These improvements originate from the enhanced kinetics of charge transport processes,including electronic conduction,charge transfer,and solid-state diffusion.The approach proposed herein offers an unprecedented route for engineering SX anodes to boost Li-ion storage.展开更多
基金Funded by the National Natural Science Foundation of China(No.50932004)
文摘A density functional plane-wave pseudopotential method is used to study the doping mechanisms of impurity defects(BiBa, YTi) in BaTiO3- BiYO3. Single BiBa and YTi impurities have little structure distortion. Bi forms ionic bond with nearby O atom in single Bi impurity, Y formed [YO6] octahedral in single Y impurity. However, in the co-doped BiB~ and Yr~ structure, Bi formed three valence bonds with nearby O atom, which causes the large structure distortion. The doped ion makes the mobile of Ti4~ difficult and loss local ferroelectricity, which will broaden the dielectric constant temperature curve and increase the temperature stability of BaTiO3 ceramic matrix.
基金We thank the subjects for participating,Sam Zeff for helping with mechanical testing,Sam Carey for helping cut the shoes,and Justin Ortega,Dale Haavind-Berman,Emily Laughlin,Annie Lye,and Adam Lee for help with data collection.
文摘Purpose This study aimed to determine the independent effect of the curved carbon-fiber plate in the Nike Vaporfly 4%shoe on running economy and running biomechanics.Methods Fifteen healthy male runners completed a metabolic protocol and a biomechanics protocol.In both protocols participants wore 2 different shoes,an intact Nike Vaporfly 4%(VF_(intact))and a cut Nike Vaporfly 4%(VF_(cut)).The VF_(cut) had 6 medio-lateral cuts through the carbon-fiber plate in the forefoot to reduce the effectiveness of the plate.In the metabolic protocol,participants ran at 14 km/h for 5 min,twice with each shoe,on a force-measuring treadmill while we measured metabolic rate.In the biomechanics protocol,participants ran across a runway with embedded force plates at 14 km/h.We calculated running economy,kinetics,and lower limb joint mechanics.Results Running economy did not significantly differ between shoe conditions(on average,0.55%±1.77%(mean±SD))worse in the VF_(cut) compared to the VF_(intact);95%confidence interval(-1.44%to 0.40%).Biomechanical differences were only found in the metatarsophalangeal(MTP)joint with increased MTP dorsiflexion angle,angular velocity,and negative power in the VF_(cut).Contact time was 1%longer in the VF_(intact).Conclusion Cutting the carbon-fiber plate and reducing the longitudinal bending stiffness did not have a significant effect on the energy savings in the Nike Vaporfly 4%.This suggests that the plate's stiffening effect on the MTP joint plays a limited role in the reported energy savings,and instead savings are likely from a combination and interaction of the foam,geometry,and plate.
基金Project supported by Knowledge Innovation Program of the Chinese Academy of Sciences(Grant No.CXJJ-16M128)
文摘S-doped and Al-doped GaSe crystals are promising materials for their applications in nonlinear frequency conversion devices. The optical and defect properties of pure, S-doped, and Al-doped GaSe crystals were studied by using photoluminescence(PL) and Fourier transform infrared spectroscopy(FT-IR). The micro-topography of(0001) face of these samples was observed by using scanning electron microscope(SEM) to investigate the influence of the doped defects on the intralayer and interlayer chemical bondings. The doped S or Al atoms form the SSe^0 or AlGa^+1) substitutional defects in the layer GaSe structure, and the positive center of AlGa-^+1 could induce defect complexes. The incorporations of S and Al atoms can change the optical and mechanical properties of the GaSe crystal by influencing the chemical bonding of the layer structure. The study results may provide guidance for the crystal growth and further applications of S-doped and Al-doped GaSe crystals.
基金supported by the Basic Science Research Program through the National Research Foundation of Korea(NRF)and funded by the Ministry of Education(2020R1A6A1A03045059)by Ministry of Science and ICT(2022R1A2C3003319)by the Institutional Program(2E33221)of the Korea Institute of Science and Technology(KIST).
文摘Doped two-dimensional(2D)materials hold significant promise for advancing many technologies,such as microelectronics,optoelectronics,and energy storage.Herein,n-type 2D oxidized Si nanosheets,namely n-type siloxene(n-SX),are employed as Li-ion battery anodes.Via thermal evaporation of sodium hypophosphite at 275°C,P atoms are effectively incorporated into siloxene(SX)without compromising its 2D layered morphology and unique Kautsky-type crystal structure.Further,selec-tive nucleophilic substitution occurs,with only Si atoms being replaced by P atoms in the O_(3)≡Si-H tetrahedra.The resulting n-SX possesses two delocalized electrons arising from the presence of two electron donor types:(i)P atoms residing in Si sites and(ii)H vacancies.The doping concentrations are varied by controlling the amount of precursors or their mean free paths.Even at 2000 mA g^(-1),the n-SX electrode with the optimized doping concentration(6.7×10^(19) atoms cm^(-3))delivers a capacity of 594 mAh g^(-1) with a 73%capacity retention after 500 cycles.These improvements originate from the enhanced kinetics of charge transport processes,including electronic conduction,charge transfer,and solid-state diffusion.The approach proposed herein offers an unprecedented route for engineering SX anodes to boost Li-ion storage.