Tantalum-related super energy storage

What is niobium & tantalum?

Niobium (Nb) and tantalum (Ta), transition metals with distinct physical and chemical properties, are highly attractive for applications in electrochemical energy storage (EES) devices. Their oxides, dichalcogenides, and MXenes demonstrate significant potential due to effective ion-diffusion channels and high theoretical capacity.

Does tantalum increase oxygen vacancy formation energy and decrease lithium-ion migration energy barrier?

In this study, we propose the strategy of introducing tantalum (Ta) to increase oxygen vacancy formation energy and decrease lithium-ion migration energy barrier of single-crystal LiNi 0.9 Co 0.05 Mn 0.05 O 2 (NCM90) cathode materials.

How does tantalum affect chemistry?

Finally, tantalum lowers the interfacial reactivity, decreases the side reactions between the electrolyte and cathode material, thereby contributes to a thinner and more uniform CEI layer, which composes fewer organic species yet more inorganic species.

Why should tantalum doping be assigned to a decreased energy barrier?

The decreased energy barrier should be assigned to tantalum doping decreasing the valence state of Ni and expanding the diffusion channels, thereby accelerate the Li + diffusion kinetics and enhancing the electrochemical performance . 4.

Does tantalum doping affect crystalline structure?

The results indicate that tantalum doping significant influences the crystalline structure of the material. Specifically, a lattice distortion phenomena induced by tantalum doping was observed, resulting in changes to the cell parameters to a certain extent.

Does trace tantalum doping suppress lattice oxygen vacancy formation?

DFT calculations reveal that the oxygen vacancy formation energy of NCM90-Ta0.6 % is 7.28 eV, significantly higher than that of the original sample NCM90 (6.26 eV) (Table S4 and Fig. 5 a). This suggests that the introduction of trace tantalum doping can effectively suppress the liberation of lattice oxygen throughout cycling processes.