Vanadium nitride as a novel thin film anode material for rechargeable lithium batteries

Elastic constants, Poisson ratios, and the elastic anisotropy of VN(001), (011), and (111) epitaxial layers grown by reactive magnetron sputter deposition

“…NaCl-structure d-VN x has an extended single-phase field with x ranging from 0.8 to 1.0 at T s ¼ 500 C. 1 Polycrystalline VN x thin films are employed in a variety of applications, including diffusion barriers in microelectronic devices, 2,3 anodes in rechargeable lithium ion batteries, 4 and hard wear-, abrasion-, and scratch-resistant coatings. 5 The wide range of VN x applications stems not only from high hardness [6][7][8] and mechanical strength 6 but also from the enhanced physical properties achieved with VN-based nanostructures and alloys.…”

Thermal Characteristics of Conversion-Type FeOF Cathode in Li-ion Batteries

“…The most important advantage of conversion-type materials over insertion compounds is that, theoretically, all of the metal redox potentials of the active material can be utilized during cycling, which indicates a much higher capacity and energy density. Various conversion-type compounds, such as metal oxides [2][3][4], fluorides [5][6][7][8][9][10][11], sulfides [12][13][14][15], and nitrides [16][17][18][19], have been investigated as active materials for Li-ion batteries. Among them, only metal fluorides could be studied as cathode materials due to their relatively high operating potential, which is induced by highly ionic metal-ligand bonds [20,21].…”

Ab Initio Molecular Dynamics Simulations of Nitrogen/VN(001) Surface Reactions: Vacancy-Catalyzed N2 Dissociative Chemisorption, N Adatom Migration, and N2 Desorption

“…48 VN and VN-based nanostructures are also promising anode materials for rechargeable lithium batteries. 49,50 Recently, NaCl-structure (cubic-B1) VN(001) has been identified as a novel electrode material for the synthesis of ammonia at room temperature and atmospheric pressure, a requirement for sustainable production of inorganic fertilizers. 51,52 Understanding fundamental processes such as dissociative N2 chemisorption, mass transport of N and metal adatoms, and associative N2 desorption, which together control the nucleation and growth kinetics of TM nitride layers, requires resolving surface dynamics at the picosecond timescale.…”