Achieving stable Zn anode via artificial interfacial layers protection strategies toward aqueous Zn-ion batteries

Coordination Chemistry Reviews, Год журнала: 2024, Номер 517, С. 216044 - 216044

Опубликована: Июнь 26, 2024

Язык: Английский

---

Can P₃S and C₃S monolayers be used as anode materials in metal-ion batteries? An answer from first-principles study

Physical Chemistry Chemical Physics, Год журнала: 2024, Номер 26(22), С. 16240 - 16252

Опубликована: Янв. 1, 2024

With the urgent need for efficient energy storage devices, significant attention has been directed to researching and developing promising anode materials metal-ion batteries.

Язык: Английский

---

Theoretical prediction of the potential of using two-dimensional V2S2 as an effective anode for alkali metal ion batteries

Surfaces and Interfaces, Год журнала: 2024, Номер 51, С. 104750 - 104750

Опубликована: Июль 6, 2024

Язык: Английский

---

Novel Boron-Doped Biphenylene Network as High-Capacity Anodes for Metal Ions Batteries: From Monolayer to Bilayer Structure

The Journal of Physical Chemistry C, Год журнала: 2024, Номер 128(15), С. 6233 - 6248

Опубликована: Апрель 8, 2024

Promising flexible electrochemical energy storage systems are presently receiving a great deal of attention. Nevertheless, it has proven difficult to advance these technologies due the absence appropriate battery electrodes that offer certain performance. One promising option for been identified as two-dimensional (2D) lightweight, materials with exceptional physical and chemical characteristics such hydrophilic surfaces, high surface metal diffusivity, strong conductivity, mechanical strengths. This study focused on biphenylene (BPN), novel 2D nonbenzenoid carbon allotrope was created by bottom-up, on-surface interpolymer dehydrogenation (HF-zipping) reaction. We systematically investigated number influencing factors, electronic, mechanical, properties pristine boron-doped (B-BPN) nanosheets, binding strength, ionic diffusion barrier, equilibrium voltage, theoretical capacity. With favorable adsorption (Ead) no structural deformation, all projected B-doped BPN-adsorbed Li, K, Ca atoms have stability. simulated barrier using charged electrode model (taking into account possible charge-transfer polarization). discovered distinct dependence atomic configuration, which is influenced bond length, valence electron number, electrical excellent low voltage. Benefiting from ion barriers along furrows at 0.23/0.21/0.66 eV Li/K/Ca, B-BPN structure an rate capacity overall. Additionally, relatively superior, up 4 times higher than commercialized graphite (1501.7 vs 372 mAh/g in case lithium-ion batteries (LIBs), 938.5 potassium (PIBs), 1126.3 calcium (CIBs)), enhances 15.2% batteries. Based BPN structure, our result offers insightful information experimental investigations anode options.

Язык: Английский

---

Investigation and Comparison of Structural, Electronic and Thermodynamic Properties of Lanthanum Carbide Compound using GGA and LDA Approximation

Transactions of the Indian Institute of Metals, Год журнала: 2025, Номер 78(3)

Опубликована: Янв. 24, 2025

Язык: Английский

---

Theoretical investigation of a C₂N monolayer as a bifunctional electrocatalyst for rechargeable non-aqueous Li–air batteries

Journal of Materials Chemistry A, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

Our work provides a detailed mechanistic pathway for the oxygen reduction reaction during discharging process and potentiality of C 2 N monolayer as cathode catalyst in non-aqueous Li–air batteries.

Язык: Английский

---

Two-dimensional ScTe2 monolayer: An efficient anode material for sodium-ion battery and cathode material for lithium-ion and potassium-ion battery

Computational Materials Science, Год журнала: 2025, Номер 253, С. 113824 - 113824

Опубликована: Март 13, 2025

Язык: Английский

---

Exploring the impact of electrocatalysis on transition metal selenides (TMSe, TM=Ti, V, Cr & Mn) with DFT study

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 140, С. 375 - 384

Опубликована: Май 30, 2025

Язык: Английский

---

Unveiling a new type of boron-doped carbon sheets as an anode for Calcium-ion batteries

Ionics, Год журнала: 2025, Номер unknown

Опубликована: Июнь 5, 2025

Язык: Английский

---

High-Capacity V₂N MXene for Multivalent Ion Batteries: An Ab Initio Study

The Journal of Physical Chemistry C, Год журнала: 2024, Номер 128(31), С. 12840 - 12848

Опубликована: Июль 25, 2024

In this study, the electrochemical energy storage properties of V2N MXene as an electrode material for multivalent zinc (Zn2+) and calcium (Ca2+) ion rechargeable batteries have been studied using first-principles computations. Various like band structure, adsorption energy, diffusion kinetics, open-circuit voltage are investigated density functional theory. demonstrates metallic with a high structural stability low barriers. Remarkably, Zn (976.4 mA h/g) Ca (770.8 h/g)-adsorbed layers exhibit better capacity than reported ones (517 h/g zinc-intercalated CC@MnO2@Ti3C2TX 598.63 calcium-intercalated V3C2/graphene). These findings make highly promising cathode anode calcium-ion batteries.

Язык: Английский

---