Theoretical investigation of synergistically boosting the anchoring and electrochemical performance of lithiophilic/sulfiphilic transition metal carbides for lithium–sulfur …
Lithium–sulfur (Li–S) battery is one of the most promising next-generation energy-storage
systems with a high energy density and low cost. However, their commercial applications …
systems with a high energy density and low cost. However, their commercial applications …
Single Pd atomic catalyst on Mo 2 CO 2 monolayer (MXene): unusual activity for CO oxidation by trimolecular Eley–Rideal mechanism
C Cheng, X Zhang, M Wang, S Wang… - Physical Chemistry …, 2018 - pubs.rsc.org
The geometric stability, electronic structure and catalytic properties of a single Pd atom
deposited on a pristine Mo2CO2 monolayer and a defective Mo2CO2 monolayer with an …
deposited on a pristine Mo2CO2 monolayer and a defective Mo2CO2 monolayer with an …
Oxygen molecule dissociation on heteroatom doped graphdiyne
Z Feng, Y Ma, Y Li, R Li, Y Tang, X Dai - Applied Surface Science, 2019 - Elsevier
Developing metal-free electrocatalysts is vitally significant for oxygen molecule dissociation.
Graphdiynes (GDY) doped with nonmetal atoms are designed and optimized as metal-free …
Graphdiynes (GDY) doped with nonmetal atoms are designed and optimized as metal-free …
High electrocatalytic response of ultra-refractory ternary alloys of Ta-Hf-C carbide toward hydrogen evolution reaction in acidic media
Transition metal carbide alloys are promising materials to replace platinum as electrodes in
electrocatalysts toward the hydrogen evolution reaction (HER). Although tantalum hafnium …
electrocatalysts toward the hydrogen evolution reaction (HER). Although tantalum hafnium …
A First-Principles Study of O2 Dissociation on Platinum Modified Titanium Carbide: A Possible Efficient Catalyst for the Oxygen Reduction Reaction
S Wang, X Chu, X Zhang, Y Zhang… - The Journal of …, 2017 - ACS Publications
The adsorption and dissociation of O2 on the Pt modified TiC (001) surfaces with different Pt
coverages of 1/4, 1/2, 3/4, and 1 ML are comparatively investigated using ab initio density …
coverages of 1/4, 1/2, 3/4, and 1 ML are comparatively investigated using ab initio density …
Study of nanostructured ultra-refractory Tantalum-Hafnium-Carbide electrodes with wide electrochemical stability window
Transition metal carbides have gathered increasing attention in energy and electrochemistry
applications, mainly due to their high structural and physicochemical properties. Their high …
applications, mainly due to their high structural and physicochemical properties. Their high …
The adsorption and dissociation of O2 on Pd and Pt modified TaC (1 0 0) surface: A first principles study
The adsorption and dissociation of O 2 on the palladium and platinum modified TaC (1 0 0)
surfaces were investigated based on the density functional theory calculations. It is found …
surfaces were investigated based on the density functional theory calculations. It is found …