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High storage capacity and small volume change of potassium-intercalation into novel vanadium oxychalcogenide monolayers V2S2O, V2Se2O and V2Te2O: An ab initio DFT investigation

化工热力学实验室 , 清华大学

Effect of Defects and Solvents on Silicene Cathode of Nonaqueous Lithium–Oxygen Batteries: A Theoretical Investigation

化工热力学实验室 , 清华大学

Adsorptive removal of Cr3+, Cu2+ and Ni2+ ions by magnetic Fe3O4@alkali-treated coal fly ash

化工热力学实验室 , 清华大学

Possibility of bare and functionalized niobium carbide MXenes for electrode materials of supercapacitors and field emitters

化工热力学实验室 , 清华大学

Environmental Functional Nanomaterials

Environmental Functional Nanomaterials Lab , 北京林业大学

Work Functions of Pristine and Heteroatom-Doped Graphenes under Different External Electric Fields: An ab Initio DFT Study

化工热力学实验室 , 清华大学

Binding Energy and Work Function of Organic Electrode Materials Phenanthraquinone, Pyromellitic Dianhydride and Their Derivatives Adsorbed on Graphene

化工热力学实验室 , 清华大学

A dispersion-corrected DFT study on adsorption of battery active materials anthraquinone and its derivatives on monolayer graphene and h-BN

化工热力学实验室 , 清华大学

N2O adsorption and decomposition over ZnO(0001) doped graphene: Density functional theory calculations

化工热力学实验室 , 清华大学

Computational design of highly stable and soluble alcohol dehydrogenase for NADPH regeneration

于浩然课题组 , 浙江大学

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