4.6 Article

Storage of Na in 2D SnS for Na ion batteries: a DFT prediction

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Investigation of Ordered TiMC and TiMCT2 (M = Cr and Mo; T = O and S) MXenes as High-Performance Anode Materials for Lithium-Ion Batteries

Shi-Ping Huang et al.

Summary: First-principles calculations were used to assess the potential of TiMC and TiMCT2 monolayers as anode materials for lithium-ion batteries. The predicted results show that TiMCT2 monolayers have better Li adsorption capacity. The calculations also reveal that TiMC and TiCrCO2 monolayers exhibit metallicity and have good ion diffusion properties and theoretical capacities.

JOURNAL OF PHYSICAL CHEMISTRY C (2022)

Article Chemistry, Multidisciplinary

Investigating the electrochemical properties of SnO monolayer in sodium-ion batteries

Mehwish Khalid Butt et al.

Summary: In this study, the electrochemical performance of two-dimensional tin mono-oxide (SnO) monolayers as an anodic material for sodium-ion batteries (SIBs) was investigated. The results show that the Na-loaded SnO monolayer exhibits good electrical conductivity and mobility, indicating a rapid charge-discharge process. These results suggest that the SnO monolayer is a promising anode material for rechargeable SIBs.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2022)

Article Materials Science, Multidisciplinary

Two-dimensional polymers made of carbonyl-bridged heterotriangulenes are promising anode materials for Li-ion batteries

Youchao Yang et al.

Summary: In this study, the potential of 2D polymers CTPA and CTPB as electrode materials for LIBs was explored using first-principles calculations. Both polymers showed the ability to accommodate lithium and undergo a transition from semiconductor to metal upon lithium incorporation. 2D CTPB demonstrated higher theoretical capacity and faster lithium diffusion compared to 2D CTPA.

2D MATERIALS (2022)

Article Materials Science, Multidisciplinary

2D SnC sheet with a small strain is a promising Li host material for Li-ion batteries

Javed Rehman et al.

Summary: The study investigates the potential of monolayer SnC as an anodic material for Li-ion batteries, utilizing DFT calculations. The mechanically, dynamically, and thermally stable SnC monolayer shows promising electronic properties, with the ability to modulate Li ion binding energies under strain effect. The results suggest that strain engineered 2D SnC could be a favorable Li host material for LIBs, with improvements in conductivity and fast lithiation/delithiation cycles.

MATERIALS TODAY COMMUNICATIONS (2021)

Article Chemistry, Physical

First principles predictions of Na and K storage in layered SnSe2

Javed Rehman et al.

Summary: Research on 2D materials like SnSe2 for Na and K ion batteries has shown promising results, with strong adsorption, conductive behavior, low activation barriers, and high theoretical capacity, making them potentially productive for commercialization.

APPLIED SURFACE SCIENCE (2021)

Article Chemistry, Multidisciplinary

Lithiation and Sodiation of Hydrogenated Silicene: A Density Functional Theory Investigation

Javed Rehman et al.

Summary: Using first-principle calculations, the single-layer hydrogen-functionalized Si2H2 structure of silicane was found to be energetically, mechanically, dynamically, and thermally stable, confirming its feasibility as anode material for Li/Na-ion batteries. Silicane demonstrated promising electrochemical performance with low open circuit voltages and high specific capacities, as well as ultra-fast diffusion channels for Li and Na ions. The low diffusion barriers for Li and Na migrations revealed rapid charge/discharge processes, making hydrogenated silicene a favorable anode material for Li/Na-ion batteries.

CHEMSUSCHEM (2021)

Article Chemistry, Physical

Potential anodic applications of 2D MoS2 for K-ion batteries

Javed Rehman et al.

Summary: The study investigates the electronic structure and electrochemical characteristics of monolayer MoS2 as an anodic material for potassium ion batteries. The results indicate that monolayer MoS2 holds potential for application in KIBs.

JOURNAL OF ALLOYS AND COMPOUNDS (2021)

Article Engineering, Electrical & Electronic

SnSe2 monolayer is a promising Na host material: A DFT study

Mehwish Khalid Butt et al.

Summary: The study found that the SnSe2 monolayer shows potential applications in Na ion batteries, with high storage capacity and low activation energy for Na diffusion.

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2021)

Article Materials Science, Multidisciplinary

Monolayer SnC as anode material for Na ion batteries

Mehwish Khalid Butt et al.

Summary: The study investigates the potential application of two-dimensional SnC monolayer as an efficient anode material for sodium ion batteries. The electronic structure of SnC exhibits a transition from semiconductor to semi-metallic behavior with the insertion of small amounts of sodium ions. The low open circuit voltage and theoretical capacity, along with a low diffusion barrier, suggest that SnC monolayer could be a promising candidate for SIBs.

COMPUTATIONAL MATERIALS SCIENCE (2021)

Article Energy & Fuels

Mechanochemical synthesis ofSnS anodesfor sodium ion batteries

Mehbare Dogrusoz et al.

INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2020)

Article Chemistry, Multidisciplinary

Enhanced Shift Currents in Monolayer 2D GeS and SnS by Strain-Induced Band Gap Engineering

Ngeywo Tolbert Kaner et al.

ACS OMEGA (2020)

Article Chemistry, Multidisciplinary

Prediction of two-dimensional CP3 as a promising electrode material with a record-high capacity for Na ions

Zishuang Cheng et al.

NANOSCALE ADVANCES (2020)

Article Chemistry, Physical

Metallic FeSe monolayer as an anode material for Li and non-Li ion batteries: a DFT study

Xiaodong Lv et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Stability, electronic and mechanical properties of chalcogen (Se and Te) monolayers

Jaspreet Singh et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Stabilities of group-III phosphide (MP, M = B, Al, Ga and In) monolayers in oxygen and water environments

Jie Wu et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Green & Sustainable Science & Technology

Boron-graphdiyne as an anode material for Li, Na, and K ion batteries with high capacities and low diffusion barriers

Imran Muhammad et al.

JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY (2019)

Article Materials Science, Multidisciplinary

Application of highly stretchable and conductive two-dimensional 1T VS2 and VSe2 as anode materials for Li-, Na- and Ca-ion storage

Mohammad Salavati et al.

COMPUTATIONAL MATERIALS SCIENCE (2019)

Article Chemistry, Physical

Metallic Nb2S2C Monolayer: A Promising Two-Dimensional Anode Material for Metal-Ion Batteries

Yu Jing et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Article Chemistry, Physical

Computational insight of monolayer SnS2 as anode material for potassium ion batteries

Javed Rehman et al.

APPLIED SURFACE SCIENCE (2019)

Article Chemistry, Physical

Novel two-dimensional molybdenum carbides as high capacity anodes for lithium/sodium-ion batteries

Yadong Yu et al.

JOURNAL OF MATERIALS CHEMISTRY A (2019)

Article Chemistry, Physical

Metallic P3C monolayer as anode for sodium-ion batteries

Ziyuan Zhao et al.

JOURNAL OF MATERIALS CHEMISTRY A (2019)

Article Chemistry, Physical

Two-dimensional NaxSiS as a promising anode material for rechargeable sodium-based batteries: ab initio material design

Thi Dung Pham et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

Article Chemistry, Multidisciplinary

Theoretical understanding of SnS monolayer as Li ion battery anode material

Fangfang Wang et al.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2018)

Article Nanoscience & Nanotechnology

A cost and resource analysis of sodium-ion batteries

Christoph Vaalma et al.

NATURE REVIEWS MATERIALS (2018)

Article Nanoscience & Nanotechnology

Adsorption and diffusion of mono, di, and trivalent ions on two-dimensional TiS2

Abdus Samad et al.

NANOTECHNOLOGY (2017)

Article Chemistry, Physical

Structural, elastic, electronic, and optical properties of the tricycle-like phosphorene

Yang Zhang et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

Superionic and electronic conductivity in monolayer W2C: ab initio predictions

Abdus Samad et al.

JOURNAL OF MATERIALS CHEMISTRY A (2017)

Article Nanoscience & Nanotechnology

Metallic VS2 Monolayer Polytypes as Potential Sodium-Ion Battery Anode via ab Initio Random Structure Searching

Darwin Barayang Putungan et al.

ACS Applied Materials & Interfaces (2016)

Article Chemistry, Physical

Facile solution synthesis of tin sulfide nanobelts for lithium-ion batteries

Keyu Li et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2016)

Article Chemistry, Physical

Theoretical prediction of MoN2 monolayer as a high capacity electrode material for metal ion batteries

Xiaoming Zhang et al.

JOURNAL OF MATERIALS CHEMISTRY A (2016)

Article Materials Science, Multidisciplinary

Physically founded phonon dispersions of few-layer materials and the case of borophene

Jesus Carrete et al.

MATERIALS RESEARCH LETTERS (2016)

Article Electrochemistry

Sn-based Intermetallic Alloy Anode Materials for the Application of Lithium Ion Batteries

P. Nithyadharseni et al.

ELECTROCHIMICA ACTA (2015)

Article Nanoscience & Nanotechnology

First principles phonon calculations in materials science

Atsushi Togo et al.

SCRIPTA MATERIALIA (2015)

Article Chemistry, Multidisciplinary

Ge/C Nanowires as High-Capacity and Long-Life Anode Materials for Li-Ion Batteries

Jun Liu et al.

ACS NANO (2014)

News Item Multidisciplinary Sciences

Phosphorene excites materials scientists

Eugenie Samuel Reich

NATURE (2014)

Article Chemistry, Multidisciplinary

Excellent electrochemical performance of tin monosulphide (SnS) as a sodium-ion battery anode

Prasit Kumar Dutta et al.

RSC ADVANCES (2014)

Article Chemistry, Physical

Metallic VS2 Monolayer: A Promising 2D Anode Material for Lithium Ion Batteries

Yu Jing et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2013)

Article Chemistry, Multidisciplinary

Three-dimensional Sn-graphene anode for high-performance lithium-ion batteries

Chundong Wang et al.

NANOSCALE (2013)

Review Chemistry, Multidisciplinary

Challenges Facing Lithium Batteries and Electrical Double-Layer Capacitors

Nam-Soon Choi et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)

Article Chemistry, Multidisciplinary

Na-ion batteries, recent advances and present challenges to become low cost energy storage systems

Veronica Palomares et al.

ENERGY & ENVIRONMENTAL SCIENCE (2012)

Article Electrochemistry

Superior rate capabilities of SnS nanosheet electrodes for Li ion batteries

Jin-Gu Kang et al.

ELECTROCHEMISTRY COMMUNICATIONS (2010)

Article Multidisciplinary Sciences

Battery materials for ultrafast charging and discharging

Byoungwoo Kang et al.

NATURE (2009)

Article Chemistry, Physical

Optimization methods for finding minimum energy paths

Daniel Sheppard et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Multidisciplinary

Semiempirical GGA-type density functional constructed with a long-range dispersion correction

Stefan Grimme

JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)