This paper attempts to understand the Pt-like catalytic activity of transition metal carbide Ta4C_(3) for IRR(I_(3)^(-)reduction reaction)based on the correlation of adsorption energy to d-band center(εd).Ta4C_(3) wa...This paper attempts to understand the Pt-like catalytic activity of transition metal carbide Ta4C_(3) for IRR(I_(3)^(-)reduction reaction)based on the correlation of adsorption energy to d-band center(εd).Ta4C_(3) was prepared by carbothermal reduction method with a template.Its photoelectrochemical properties were investigated as a CE(counter electrode)in DSSC(dye-sensitized solar cell).Its surface electronic structures,including DOS(density of state)andεd,and adsorption energy were computed by first-principle DFT(density functional theory).In TMC(transition metal carbide)Ta4C_(3),the interaction between Ta and C atoms makes the d-band of Ta broaden and results in the downward shift of itsεd.A moderate absorption energy corresponding to theεd is achieved,which is the nature of the Pt-like catalytic activity of Ta4C_(3).Appropriate change of adsorption energy by adjustingεd is a promising strategy to improve catalytic activity.This work is of great significance to the fundamental and application researches.展开更多
The insulator Na2Ta4O11 has been considered as a potential photocatalyst.However,little attention has been given to the synthesis of Na2Ta4O11 nanoparticles,let alone the growth of two-dimensional(2D)layered Na2Ta4O11...The insulator Na2Ta4O11 has been considered as a potential photocatalyst.However,little attention has been given to the synthesis of Na2Ta4O11 nanoparticles,let alone the growth of two-dimensional(2D)layered Na2Ta4O11 flake,which may bring innovative properties and promising applications.Here,the 2D thin-layer Na2Ta4O11 flake was first produced by chemical vapor deposition(CVD)method,with the smallest thickness reported currently.We have also synthesized 2D Na2Ta4O11 flake over 100μm,which was the largest value over the 2D level reported to date.Our work proposed novel strategies to synthesize other 2D metal oxide material and endow the Na2Ta4O11 more properties and applications.展开更多
基金Financial support for this work was provided by Key Research and Development Projects of Shanxi Province(201703D121023).
文摘This paper attempts to understand the Pt-like catalytic activity of transition metal carbide Ta4C_(3) for IRR(I_(3)^(-)reduction reaction)based on the correlation of adsorption energy to d-band center(εd).Ta4C_(3) was prepared by carbothermal reduction method with a template.Its photoelectrochemical properties were investigated as a CE(counter electrode)in DSSC(dye-sensitized solar cell).Its surface electronic structures,including DOS(density of state)andεd,and adsorption energy were computed by first-principle DFT(density functional theory).In TMC(transition metal carbide)Ta4C_(3),the interaction between Ta and C atoms makes the d-band of Ta broaden and results in the downward shift of itsεd.A moderate absorption energy corresponding to theεd is achieved,which is the nature of the Pt-like catalytic activity of Ta4C_(3).Appropriate change of adsorption energy by adjustingεd is a promising strategy to improve catalytic activity.This work is of great significance to the fundamental and application researches.
基金financial support from the National Natural Science Foundation of China(Nos.21975067,21705036)Natural Science Foundation of Hunan Province,China(No.2018JJ3035)。
文摘The insulator Na2Ta4O11 has been considered as a potential photocatalyst.However,little attention has been given to the synthesis of Na2Ta4O11 nanoparticles,let alone the growth of two-dimensional(2D)layered Na2Ta4O11 flake,which may bring innovative properties and promising applications.Here,the 2D thin-layer Na2Ta4O11 flake was first produced by chemical vapor deposition(CVD)method,with the smallest thickness reported currently.We have also synthesized 2D Na2Ta4O11 flake over 100μm,which was the largest value over the 2D level reported to date.Our work proposed novel strategies to synthesize other 2D metal oxide material and endow the Na2Ta4O11 more properties and applications.
