Metallic B2C monolayer as a promising anode material for Li/Na ion storage

[1]  M. A. Zaeem,et al.  Stone–Wales Defect Induced Performance Improvement of BC3 Monolayer for High Capacity Lithium-Ion Rechargeable Battery Anode Applications , 2020 .

[2]  Gang Chen,et al.  Q-carbon: A New Carbon Allotrope with Low Degree of s-p Orbital Hybridization and Its Nucleation Lithiation Process in Lithium-Ion Batteries. , 2019, ACS applied materials & interfaces.

[3]  Qinglei Liu,et al.  Fluorine-free Ti3C2Tx as anode materials for Li-ion batteries , 2019, Electrochemistry Communications.

[4]  D. Ladha.  A review on density functional theory–based study on two-dimensional materials used in batteries , 2019, Materials Today Chemistry.

[5]  Yannan Zhang,et al.  Planar net-τ: A new high-performance metallic carbon anode material for lithium-ion batteries , 2019, Carbon.

[6]  E. Ruckenstein,et al.  Reconfiguring graphene for high-performance metal-ion battery anodes , 2019, Energy Storage Materials.

[7]  Mingwen Zhao,et al.  Prediction of a flexible anode material for Li/Na ion batteries: Phosphorous carbide monolayer (α-PC) , 2019, Carbon.

[8]  Biao Li,et al.  All boron-based 2D material as anode material in Li-ion batteries , 2018, Journal of Energy Chemistry.

[9]  Shengli Zhang,et al.  OPGs: promising anode materials with high specific capacity and rate capability for Li/Na ion batteries. , 2018, Nanoscale.

[10]  Baocheng Yang,et al.  Popgraphene: a new 2D planar carbon allotrope composed of 5–8–5 carbon rings for high-performance lithium-ion battery anodes from bottom-up programming , 2018 .

[11]  Di Zhang,et al.  Micron-sized encapsulated-type MoS2/C hybrid particulates with an effective confinement effect for improving the cycling performance of LIB anodes , 2018 .

[12]  Meng Li,et al.  Metallic VO2 monolayer as an anode material for Li, Na, K, Mg or Ca ion storage: a first-principle study , 2018, RSC advances.

[13]  S. Passerini,et al.  A cost and resource analysis of sodium-ion batteries , 2018 .

[14]  C. V. Singh,et al.  2D Hydrogenated graphene-like borophene as a high capacity anode material for improved Li/Na ion batteries: A first principles study , 2018, Materials Today Energy.

[15]  Xiaohong Yan,et al.  Monolayer InP3 as a reversible anode material for ultrafast charging lithium- and sodium-ion batteries: a theoretical study , 2018 .

[16]  Bohm-Jung Yang,et al.  A promising alkali-metal ion battery anode material: 2D metallic phosphorus carbide ( β 0 -PC) , 2017 .

[17]  Qian Wang,et al.  ψ-Graphene: A New Metallic Allotrope of Planar Carbon with Potential Applications as Anode Materials for Lithium-Ion Batteries. , 2017, The journal of physical chemistry letters.

[18]  D. Searles,et al.  Biphenylene and Phagraphene as Lithium Ion Battery Anode Materials. , 2017, ACS applied materials & interfaces.

[19]  Y. Kawazoe,et al.  Body-Centered Tetragonal C16 : A Novel Topological Node-Line Semimetallic Carbon Composed of Tetrarings. , 2017, Small.

[20]  Qiang Sun,et al.  All-carbon-based porous topological semimetal for Li-ion battery anode material , 2017, Proceedings of the National Academy of Sciences.

[21]  Yan-Chun Li,et al.  Penta-graphene: A Promising Anode Material as the Li/Na-Ion Battery with Both Extremely High Theoretical Capacity and Fast Charge/Discharge Rate. , 2016, ACS applied materials & interfaces.

[22]  David-Wei Zhang,et al.  Stability and strength of atomically thin borophene from first principles calculations , 2016, 1608.05877.

[23]  Yugui Yao,et al.  Borophene as an extremely high capacity electrode material for Li-ion and Na-ion batteries. , 2016, Nanoscale.

[24]  Yi Cui,et al.  Promises and challenges of nanomaterials for lithium-based rechargeable batteries , 2016, Nature Energy.

[25]  B. Xiang,et al.  First-principles investigations of vanadium disulfide for lithium and sodium ion battery applications , 2016 .

[26]  R. Ruoff,et al.  Two‐Dimensional Materials for Beyond‐Lithium‐Ion Batteries , 2016 .

[27]  T. Zhao,et al.  Borophene: A promising anode material offering high specific capacity and high rate capability for lithium-ion batteries , 2016 .

[28]  F. Peeters,et al.  Mo2C as a high capacity anode material: a first-principles study , 2016 .

[29]  Swastika Banerjee,et al.  First-principles design of a borocarbonitride-based anode for superior performance in sodium-ion batteries and capacitors , 2016 .

[30]  Di Zhang,et al.  Crosslinking-derived MnO/carbon hybrid with ultrasmall nanoparticles for increasing lithium storage capacity during cycling , 2016 .

[31]  Ying Dai,et al.  Ab Initio Prediction and Characterization of Mo2C Monolayer as Anodes for Lithium-Ion and Sodium-Ion Batteries. , 2016, The journal of physical chemistry letters.

[32]  Xiaoshuang Chen,et al.  The capacity fading mechanism and improvement of cycling stability in MoS2-based anode materials for lithium-ion batteries. , 2016, Nanoscale.

[33]  Di Zhang,et al.  Spontaneous Cross-linking for Fabrication of Nanohybrids Embedded with Size-Controllable Particles. , 2016, ACS nano.

[34]  Anubhav Jain,et al.  Computational predictions of energy materials using density functional theory , 2016 .

[35]  Bo Liu,et al.  Lithium and lithium ion batteries for applications in microelectronic devices: A review , 2015 .

[36]  O. Malyi,et al.  Phosphorene as an anode material for Na-ion batteries: a first-principles study. , 2015, Physical chemistry chemical physics : PCCP.

[37]  Sergei Manzhos,et al.  A computational study of Na behavior on graphene , 2015 .

[38]  O. Malyi,et al.  Adsorption of metal adatoms on single-layer phosphorene. , 2015, Physical chemistry chemical physics : PCCP.

[39]  Nikhil Koratkar,et al.  Enhanced lithiation in defective graphene , 2014 .

[40]  Wei Kang,et al.  The potential application of phosphorene as an anode material in Li-ion batteries , 2014, 1408.3488.

[41]  Y. Gogotsi,et al.  Ti₃C₂ MXene as a high capacity electrode material for metal (Li, Na, K, Ca) ion batteries. , 2014, ACS applied materials & interfaces.

[42]  Vivek B Shenoy,et al.  Defective graphene as a high-capacity anode material for Na- and Ca-ion batteries. , 2014, ACS applied materials & interfaces.

[43]  E. Kaxiras,et al.  Adsorption and diffusion of lithium on layered silicon for Li-ion storage. , 2013, Nano letters.

[44]  Li‐Ming Wu,et al.  First-Principles Study of Lithium Adsorption and Diffusion on Graphene with Point Defects , 2012 .

[45]  K. Persson,et al.  Li absorption and intercalation in single layer graphene and few layer graphene by first principles. , 2012, Nano letters.

[46]  Jiehua Liu,et al.  Two‐Dimensional Nanoarchitectures for Lithium Storage , 2012, Advanced materials.

[47]  Jinlong Yang,et al.  A first-principles prediction of two-dimensional superconductivity in pristine B₂C single layers. , 2012, Nanoscale.

[48]  Arumugam Manthiram,et al.  Materials Challenges and Opportunities of Lithium-ion Batteries for Electrical Energy Storage , 2011 .

[49]  Xiaojun Wu,et al.  B2C graphene, nanotubes, and nanoribbons. , 2009, Nano letters.

[50]  Marvin L. Cohen,et al.  First-principles study of metal adatom adsorption on graphene , 2008 .

[51]  Stefan Grimme,et al.  Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction , 2006, J. Comput. Chem..

[52]  G. Henkelman,et al.  A climbing image nudged elastic band method for finding saddle points and minimum energy paths , 2000 .

[53]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[54]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[55]  G. Kresse,et al.  Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .

[56]  Blöchl,et al.  Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.

[57]  Dahn,et al.  Phase diagram of LixC6. , 1991, Physical review. B, Condensed matter.

[58]  R. Somoano,et al.  Superconducting critical fields of alkali and alkaline-earth intercalates of MoS2 , 1976 .

[59]  C. Kittel.  Introduction to solid state physics , 1954 .

[60]  J. Tarascon,et al.  Towards greener and more sustainable batteries for electrical energy storage. , 2015, Nature chemistry.