The development of Chinese agriculture is now facing the grim situation of decreasing farmland area, increasing population and social demands, so the devel- opment of protected horticulture becomes necessary to solve ...The development of Chinese agriculture is now facing the grim situation of decreasing farmland area, increasing population and social demands, so the devel- opment of protected horticulture becomes necessary to solve the issue. This paper reviewed the characteristics of traditional horticulture films and application prospects of new functional films.展开更多
The direct synthesis of hydrogen peroxide(H_(2)O_(2))via a two‐electron oxygen reduction reaction(2e‐ORR)in acidic media has emerged as a green process for the production of this valuable chemical.However,such an ap...The direct synthesis of hydrogen peroxide(H_(2)O_(2))via a two‐electron oxygen reduction reaction(2e‐ORR)in acidic media has emerged as a green process for the production of this valuable chemical.However,such an approach employs expensive noble‐metal‐based electrocatalysts,which severely undermines its feasibility when implemented on an industrial scale.Herein,based on density functional theory computations and microkinetic modeling,we demonstrate that a novel two‐dimensional(2D)material,namely a 1T′‐MoTe_(2)monolayer,can serve as an efficient non‐precious electrocatalyst to facilitate the 2e‐ORR.The 1T′‐MoTe_(2)monolayer is a stable 2D crystal that can be easily produced through exfoliation techniques.The surface‐exposed Te sites of the 1T′‐MoTe_(2)monolayer exhibit a favorable OOH*binding energy of 4.24 eV,resulting in a rather high basal plane activity toward the 2e‐ORR.Importantly,kinetic computations indicate that the 1T'‐MoTe_(2)monolayer preferentially promotes the formation of H_(2)O_(2)over the competing four‐electron ORR step.These desirable characteristics render 1T′‐MoTe_(2)a promising candidate for catalyzing the electrochemical reduction of O_(2)to H_(2)O_(2).展开更多
OX_(2)(X=halogen)molecules was studied theoretically.Calculation results show that delocalizedπ_(3)^(6) bonds exist in their electronic structures and O atoms adopt the sp^(2) type of hybridization,which violates the...OX_(2)(X=halogen)molecules was studied theoretically.Calculation results show that delocalizedπ_(3)^(6) bonds exist in their electronic structures and O atoms adopt the sp^(2) type of hybridization,which violates the prediction of the valence shell electron pair repulsion theory of sp^(3) type.Delocalization stabilization energy is proposed to measure the contribution of delocalizedπ_(3)^(6) bond to energy decrease and proves to bring extra-stability to the molecule.These phenomena can be summarized as a kind of coordinating effect.展开更多
基金Supported by Jiangsu Agricultural Science and Technology Innovation Fund[CX(13)3032]Jiangsu Six Category Outstanding Talent(NY-031)Nanjing Innovation Fund for Small and Mediumsized Technology-based Firms(2013074)~~
文摘The development of Chinese agriculture is now facing the grim situation of decreasing farmland area, increasing population and social demands, so the devel- opment of protected horticulture becomes necessary to solve the issue. This paper reviewed the characteristics of traditional horticulture films and application prospects of new functional films.
文摘The direct synthesis of hydrogen peroxide(H_(2)O_(2))via a two‐electron oxygen reduction reaction(2e‐ORR)in acidic media has emerged as a green process for the production of this valuable chemical.However,such an approach employs expensive noble‐metal‐based electrocatalysts,which severely undermines its feasibility when implemented on an industrial scale.Herein,based on density functional theory computations and microkinetic modeling,we demonstrate that a novel two‐dimensional(2D)material,namely a 1T′‐MoTe_(2)monolayer,can serve as an efficient non‐precious electrocatalyst to facilitate the 2e‐ORR.The 1T′‐MoTe_(2)monolayer is a stable 2D crystal that can be easily produced through exfoliation techniques.The surface‐exposed Te sites of the 1T′‐MoTe_(2)monolayer exhibit a favorable OOH*binding energy of 4.24 eV,resulting in a rather high basal plane activity toward the 2e‐ORR.Importantly,kinetic computations indicate that the 1T'‐MoTe_(2)monolayer preferentially promotes the formation of H_(2)O_(2)over the competing four‐electron ORR step.These desirable characteristics render 1T′‐MoTe_(2)a promising candidate for catalyzing the electrochemical reduction of O_(2)to H_(2)O_(2).
基金supported by the Provincial Innovation and Entrepreneurship Training Program of Jiangsu Province(No.201910319079Y)。
文摘OX_(2)(X=halogen)molecules was studied theoretically.Calculation results show that delocalizedπ_(3)^(6) bonds exist in their electronic structures and O atoms adopt the sp^(2) type of hybridization,which violates the prediction of the valence shell electron pair repulsion theory of sp^(3) type.Delocalization stabilization energy is proposed to measure the contribution of delocalizedπ_(3)^(6) bond to energy decrease and proves to bring extra-stability to the molecule.These phenomena can be summarized as a kind of coordinating effect.
