The conversion of CO_(2) into high value added chemicals via the Fischer-Tropsch synthesis(FTS)reaction has attracted significant attention.The surface oxygenation environment is a significant factor influencing the p...The conversion of CO_(2) into high value added chemicals via the Fischer-Tropsch synthesis(FTS)reaction has attracted significant attention.The surface oxygenation environment is a significant factor influencing the performance of the catalyst.In this work,spin-polarized density-functional theory calculations have been used to investigate the adsorption and reactions of CO_(2) and H to generate CH4 and CH3OH on Fe_(5)C_(2)(100)surfaces with varying OH∗coverage.On the pure Fe_(5)C_(2)(100)surface,surface C^(∗) preferentially reacts with hydrogen to form CH4,exposing C^(∗) vacancy.CO_(2) favors adsorbing on the C^(∗) vacancy to further dissociating and activating.The co-adsorption of OH∗promotes the C^(∗) cycle process by facilitating the hydrogenation of C^(∗).The Fe_(5)C_(2) surface with an oxide interface is favorable for reducing FexOy,thereby maintaining the dynamic stability of the surface.Therefore,surface oxidation is inevitably involved in the entire C^(∗) cycle of the FTS reaction and regulates the relative content of iron oxides and iron carbides.Our work can contribute to the rational modulation of the surface C^(∗) cycle,thereby enhancing catalyst performance.展开更多
In this article,we are concerned with the C^(2)estimates for the k-convex solutions of a class of degenerate k-Hessian equations on closed Hermitian manifolds,whose function in the right-hand side is relevant to the u...In this article,we are concerned with the C^(2)estimates for the k-convex solutions of a class of degenerate k-Hessian equations on closed Hermitian manifolds,whose function in the right-hand side is relevant to the unknown function and its gradient.We will get C^(0)estimate by promoting others′results,and get the“HMW estimate”of this equation such that the conditions of using blow-up analysis are satisfied,and the gradient estimate and second-order estimate will be obtained.Such an estimate will be helpful to study the existence for the solution of the equation.展开更多
基金the National Natural Science Foundation of China(22002008,22202226,22468042)Ningxia Key Research and Development Project(2022BEE03002,2022 BSB03056)+1 种基金the Fourth Batch of Ningxia Youth Talents Supporting Program(TJGC2019022)West Light Foundation of the Chinese Academy of Sciences(XAB2019AW02).
文摘The conversion of CO_(2) into high value added chemicals via the Fischer-Tropsch synthesis(FTS)reaction has attracted significant attention.The surface oxygenation environment is a significant factor influencing the performance of the catalyst.In this work,spin-polarized density-functional theory calculations have been used to investigate the adsorption and reactions of CO_(2) and H to generate CH4 and CH3OH on Fe_(5)C_(2)(100)surfaces with varying OH∗coverage.On the pure Fe_(5)C_(2)(100)surface,surface C^(∗) preferentially reacts with hydrogen to form CH4,exposing C^(∗) vacancy.CO_(2) favors adsorbing on the C^(∗) vacancy to further dissociating and activating.The co-adsorption of OH∗promotes the C^(∗) cycle process by facilitating the hydrogenation of C^(∗).The Fe_(5)C_(2) surface with an oxide interface is favorable for reducing FexOy,thereby maintaining the dynamic stability of the surface.Therefore,surface oxidation is inevitably involved in the entire C^(∗) cycle of the FTS reaction and regulates the relative content of iron oxides and iron carbides.Our work can contribute to the rational modulation of the surface C^(∗) cycle,thereby enhancing catalyst performance.
文摘In this article,we are concerned with the C^(2)estimates for the k-convex solutions of a class of degenerate k-Hessian equations on closed Hermitian manifolds,whose function in the right-hand side is relevant to the unknown function and its gradient.We will get C^(0)estimate by promoting others′results,and get the“HMW estimate”of this equation such that the conditions of using blow-up analysis are satisfied,and the gradient estimate and second-order estimate will be obtained.Such an estimate will be helpful to study the existence for the solution of the equation.
