Magnesiation of bare and halides encapsulated B40 fullerenes for their potential application as promising anode materials for Mg-ion batteries

A computational study on the potential application of zigzag carbon nanotubes in Mg-ion batteries

(2020) Saeed Amir Aslanzadeh   STRUCTURAL CHEMISTRY

The potential application of borazine (B3N3)-doped nanographene decorated with halides as anode materials for Li-ion batteries: a first-principles study

(2020) Rezvan Rahimi et al.   JOURNAL OF MOLECULAR MODELING

Computational predictions of two-dimensional anode materials of metal-ion batteries

(2020) Jianyan Lin et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Graphyne as an anode material for Mg-ion batteries: A computational study

(2020) Yingling Mao et al.   JOURNAL OF MOLECULAR LIQUIDS

Battery cost modeling: A review and directions for future research

(2020) F. Duffner et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Lithium metal anodes: Present and future

(2020) Renheng Wang et al.   Journal of Energy Chemistry

Aggregation behavior and non-covalent functionalization of borofullerenes B28 , B38 , and B40 : A density functional theory investigation

(2019) Le Yang et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Halides encapsulation in aluminum/boron phosphide nanoclusters: An effective strategy for high cell voltage in Na-ion battery

(2019) Naveen Kosar et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Fluxional Boron Clusters: From Theory to Reality

(2019) Sudip Pan et al.   ACCOUNTS OF CHEMICAL RESEARCH

Graphene-like carbon-nitrogen materials as anode materials for Li-ion and mg-ion batteries

(2019) Jianhang Zhang et al.   APPLIED SURFACE SCIENCE

Impressive capacity of the B7− and V2B7 clusters for CO2 capture

(2019) Hung Tan Pham et al.   CHEMICAL PHYSICS LETTERS

The role of Mn and Fe transition metal atoms mediation on the aniline adsorption by B40 fullerene: A computational investigation

(2019) Masoomeh Keyhanian et al.   JOURNAL OF MOLECULAR LIQUIDS

Electronic and nonlinear optical features of first row transition metals-decorated all-boron B40 fullerene: A promising route to remarkable electro-optical response

(2019) Ehsan Shakerzadeh et al.   INORGANIC CHEMISTRY COMMUNICATIONS

Li2 B12 and Li3 B12 : Prediction of the Smallest Tubular and Cage-like Boron Structures

(2018) Xue Dong et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical approach into potential possibility of efficient NO 2 detection via B 40 and Li@B 40 fullerenes

(2018) Zeinab Maniei et al.   CHEMICAL PHYSICS LETTERS

High performance hybrid Mg-Li ion batteries with conversion cathodes for low cost energy storage

(2018) Xinzhi Chen et al.   ELECTROCHIMICA ACTA

The Boron Teetotum: Metallic [Ti(B6CxNy)]q and Bimetallic [Ti2(B6CxNy)]q Nine-Membered Heterocycles with x + y = 3 and -1 ≤ q ≤ 3

(2018) My Phuong Pham-Ho et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Noble gas encapsulated B40 cage

(2018) Sudip Pan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Phosphorene as a promising anode material for (Li/Na/Mg)-ion batteries: A first-principle study

(2018) A. Sibari et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Na-ion batteries based on the inorganic BN nanocluster anodes: DFT studies

(2017) K. Nejati et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Electronic Origin of the Stability of Transition-Metal-Doped B14 Drum-Shaped Boron Clusters and Their Assembly into a Nanotube

(2017) Pinaki Saha et al.   Journal of Physical Chemistry C

B40cluster stability, reactivity, and its planar structural precursor

(2017) Yang Yang et al.   Nanoscale

Li interactions with the B 40 fullerene and its application in Li-ion batteries: DFT studies

(2017) Morteza Moradi et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Can Li-Ion batteries be the panacea for automotive applications?

(2017) A. Opitz et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study

(2016) Bohayra Mortazavi et al.   JOURNAL OF POWER SOURCES

A comparative first-principles study of the lithiation, sodiation, and magnesiation of black phosphorus for Li-, Na-, and Mg-ion batteries

(2016) K. P. S. S. Hembram et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stability of Metal-Encapsulating Boron Fullerene B40

(2015) Wei Fa et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Fullerene-like boron clusters stabilized by an endohedrally doped iron atom: BnFe with n = 14, 16, 18 and 20

(2015) Nguyen Minh Tam et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Cobalt-centred boron molecular drums with the highest coordination number in the CoB16− cluster

(2015) Ivan A. Popov et al.   Nature Communications

Endohedral and Exohedral Metalloborospherenes: M@B40(M=Ca, Sr) and M&B40(M=Be, Mg)

(2014) Hui Bai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electronic Structure and Chemical Bonding in the Double Ring Tubular Boron Clusters

(2014) Hung Tan Pham et al.   Journal of Physical Chemistry C

Observation of an all-boron fullerene

(2014) Hua-Jin Zhai et al.   Nature Chemistry

The role of graphene for electrochemical energy storage

(2014) Rinaldo Raccichini et al.   NATURE MATERIALS

A highly reversible, low-strain Mg-ion insertion anode material for rechargeable Mg-ion batteries

(2014) Na Wu et al.   NPG Asia Materials

The Li-Ion Rechargeable Battery: A Perspective

(2013) John B. Goodenough et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Highly Reversible Mg Insertion in Nanostructured Bi for Mg Ion Batteries

(2013) Yuyan Shao et al.   NANO LETTERS

High capacity positive electrodes for secondary Mg-ion batteries

(2012) Shahid Rasul et al.   ELECTROCHIMICA ACTA

B80 and B101–103 clusters: Remarkable stability of the core-shell structures established by validated density functionals

(2012) Fengyu Li et al.   JOURNAL OF CHEMICAL PHYSICS

Nitrogen-doped graphene nanosheets as anode materials for lithium ion batteries: a first-principles study

(2012) Congcong Ma et al.   JOURNAL OF MATERIALS CHEMISTRY

Experimental and computational evidence of octa- and nona-coordinated planar iron-doped boron clusters: Fe©B8− and Fe©B9−

(2012) Constantin Romanescu et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

Advanced Materials for Energy Storage

(2010) Chang Liu et al.   ADVANCED MATERIALS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS