journal article·2026-01

Structural and electronic transformations of lithium selenide during delithiation: A density functional theory study

Maeng-Eun Lee, Kwang-Hwi Cho

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Advanced Battery Materials and Technologies · Advancements in Battery Materials · Inorganic Chemistry and Materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (38)

Show source-provided references
1. Structure and charge regulation strategy enabling superior cyclability for Ni-rich layered cathode materials10.1002/smll.202104282 ↗
2. Degradation of high-nickel-layered oxide cathodes from surface to bulk: a comprehensive structural, chemical, and electrical analysis10.1002/aenm.202001035 ↗
3. Aging mechanisms of electrode materials in Lithium-ion batteries for electric vehicles
4. Simultaneously dual modification of Ni-rich layered oxide cathode for high-energy Lithium-ion batteries
5. Challenges and strategies to advance high-energy nickel-rich layered Lithium transition metal oxide cathodes for harsh operation10.1002/adfm.202004748 ↗
6. High-capacity battery cathode prelithiation to offset initial lithium loss10.1038/nenergy.2015.8 ↗
7. Over- and hyper-Lithiated oxides as sacrificial cathodes for Lithium-ion batteries
8. Mechanism of capacity fading in the LiNi0.8Co0.1Mn0.1O2 cathode material for lithium-ion batteries10.3390/en12091638 ↗
9. Improving the cycling stability of NCM811 at high-voltage 4.5V in ester-based electrolytes with LiDFOB
10. Constructing a high-energy and durable single-crystal NCM811 cathode for all-solid-state batteries by a surface engineering strategy10.1021/acsami.1c11419 ↗
11. Study of the composite modified positive electrode between NCM811 and V2O5 materials in Li-ion cells10.1142/S1793292021500326 ↗
12. High structural stability and Li-conduction of LiNi0.8Co0.1Mn0.1O2 cathode co-coated by Al2O3 and LiNbO3 for high performance lithium-ion battery10.1039/D4TA04206A ↗
13. Li2Se as a cathode Prelithiation additive for Lithium-ion batteries10.1021/acsami.2c21312 ↗
14. Covalent selenium embedded in hierarchical carbon nanofibers for ultra-high areal capacity Li-Se batteries10.1016/j.isci.2020.100919 ↗
15. Recent progress and prospect of Li-se batteries: a comprehensive review
16. Activation-free synthesis of microporous carbon from polyvinylidene fluoride as host materials for lithium-selenium batteries10.1016/j.jpowsour.2019.227059 ↗
17. Charge-transfer-induced lattice collapse in Ni-rich NCM cathode materials during Delithiation10.1021/acs.jpcc.7b06598 ↗
18. High-voltage-driven surface structuring and electrochemical stabilization of Ni-rich layered cathode materials for Li rechargeable batteries10.1002/aenm.202000521 ↗
19. Commentary: the materials project: a materials genome approach to accelerating materials innovation10.1063/1.4812323 ↗
20. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
21. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
22. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
23. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
24. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
25. High-precision sampling for Brillouin-zone integration in metals10.1103/PhysRevB.40.3616 ↗
26. Geng · 2019
27. VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data10.1107/S0021889811038970 ↗
28. A climbing image nudged elastic band method for finding saddle points and minimum energy paths10.1063/1.1329672 ↗
29. A grid-based Bader analysis algorithm without lattice bias10.1088/0953-8984/21/8/084204 ↗
30. Make selenium reactive again: activating elemental selenium for synthesis of metal selenides ranging from nanocrystals to large single crystals10.1021/jacs.3c08637 ↗
31. Elastic and piezoelectric constants of trigonal selenium and tellurium crystals10.1063/1.326485 ↗
32. The monoclinic-to-trigonal transformation in selenium10.1063/1.323439 ↗
33. A novel type of one-dimensional organic selenium-containing fiber with superior performance for lithium–selenium and sodium–selenium batteries10.1039/C4RA10967H ↗
34. Electronic band structure and chemical bonding in trigonal se and Te10.1063/5.0087880 ↗
35. The formation of a one-dimensional van der Waals selenium crystal from the three-dimensional amorphous phase: a spectroscopic signature of van der Waals bonding10.1063/5.0080133 ↗
36. Ab initio calculation of the intercalation voltage of lithium transition-metal oxides10.1103/PhysRevB.56.1354 ↗
37. Lithium batteries and cathode materials10.1021/cr020731c ↗
38. Phospho-olivines as positive-electrode materials for rechargeable lithium batteries10.1149/1.1837571 ↗