Graphdiyne as an ideal monolayer coating material for lithium-ion battery cathodes with ultralow areal density and ultrafast Li penetration

Boron-Doped Graphene as a Promising Anode Material for Potassium-Ion Batteries with a Large Capacity, High Rate Performance, and Good Cycling Stability

(2017) Sheng Gong et al.   Journal of Physical Chemistry C

Ground-State Structure of YN2 Monolayer Identified by Global Search

(2017) Sheng Gong et al.   Journal of Physical Chemistry C

Strain-mediated type-I/type-II transition in MXene/Blue phosphorene van der Waals heterostructures for flexible optical/electronic devices

(2017) Zhonglu Guo et al.   Journal of Materials Chemistry C

Graphdiyne as a High-Efficiency Membrane for Separating Oxygen from Harmful Gases: A First-Principles Study

(2016) Zhaoshun Meng et al.   ACS Applied Materials & Interfaces

Monolayer Phosphorene–Metal Contacts

(2016) Yuanyuan Pan et al.   CHEMISTRY OF MATERIALS

Single layer graphene encapsulating non-precious metals as high-performance electrocatalysts for water oxidation

(2016) Xiaoju Cui et al.   Energy & Environmental Science

Implications of boron doping on electrocatalytic activities of graphyne and graphdiyne families: a first principles study

(2016) Bikram Kumar Das et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-throughput computational design of cathode coatings for Li-ion batteries

(2016) Muratahan Aykol et al.   Nature Communications

Effects of interlayer coupling and electric fields on the electronic structures of graphene and MoS2 heterobilayers

(2016) Wei Hu et al.   Journal of Materials Chemistry C

Interlayer coupling effects on Schottky barrier in the arsenene-graphene van der Waals heterostructures

(2015) Congxin Xia et al.   APPLIED PHYSICS LETTERS

Cobalt Oxide Encapsulated in C2N-h2D Network Polymer as a Catalyst for Hydrogen Evolution

(2015) Javeed Mahmood et al.   CHEMISTRY OF MATERIALS

Electronic Properties of Phosphorene/Graphene and Phosphorene/Hexagonal Boron Nitride Heterostructures

(2015) Yongqing Cai et al.   Journal of Physical Chemistry C

Graphdiyne–metal contacts and graphdiyne transistors

(2015) Yuanyuan Pan et al.   Nanoscale

First-Principles Investigation of Adsorption and Diffusion of Ions on Pristine, Defective and B-doped Graphene

(2015) Wei Wan et al.   Materials

H2 purification by functionalized graphdiyne – role of nitrogen doping

(2015) Yan Jiao et al.   Journal of Materials Chemistry A

Lithium transport through lithium-ion battery cathode coatings

(2015) Shenzhen Xu et al.   Journal of Materials Chemistry A

Ti3C2 MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries

(2014) Dequan Er et al.   ACS Applied Materials & Interfaces

Strength and Toughness of Graphdiyne/Copper Nanocomposites

(2014) Ruth E. Roman et al.   ADVANCED ENGINEERING MATERIALS

Electronic and transport properties of LiCoO2

(2014) Bohdan Andriyevsky et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Review of the first principles calculations and the design of cathode materials for Li-ion batteries

(2014) Liu-Ming Yan et al.   Advances in Manufacturing

Graphdiyne: A promising anode material for lithium ion batteries with high capacity and rate capability

(2013) Hongyu Zhang et al.   JOURNAL OF APPLIED PHYSICS

Percolation threshold of graphene nanosheets as conductive additives in Li4Ti5O12 anodes of Li-ion batteries

(2013) Biao Zhang et al.   Nanoscale

Emerging Applications of Atomic Layer Deposition for Lithium-Ion Battery Studies

(2012) Xiangbo Meng et al.   ADVANCED MATERIALS

First-principles study on the electronic structure of a LiFePO4 (010) surface adsorbed with carbon

(2012) Peixin Zhang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space

(2012) Jonathan E. Moussa et al.   JOURNAL OF CHEMICAL PHYSICS

Solid–Electrolyte Interphase Formation and Electrolyte Reduction at Li-Ion Battery Graphite Anodes: Insights from First-Principles Molecular Dynamics

(2012) P. Ganesh et al.   Journal of Physical Chemistry C

DFT Study of Hydrogen Adsorption On the Monoclinic WO3 (001) Surface

(2012) Fenggong Wang et al.   Journal of Physical Chemistry C

Structural and electronic properties of bilayer and trilayer graphdiyne

(2012) Qiye Zheng et al.   Nanoscale

Extended graphynes: simple scaling laws for stiffness, strength and fracture

(2012) Steven W. Cranford et al.   Nanoscale

Mechanical properties of graphdiyne sheet

(2012) Yang Pei   PHYSICA B-CONDENSED MATTER

Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions

(2011) Mengqiu Long et al.   ACS Nano

Ultrathin Multifunctional Oxide Coatings for Lithium Ion Batteries

(2011) Xingcheng Xiao et al.   ADVANCED MATERIALS

Enhancing the performances of Li-ion batteries by carbon-coating: present and future

(2011) Huiqiao Li et al.   CHEMICAL COMMUNICATIONS

Understanding and recent development of carbon coating on LiFePO4cathode materials for lithium-ion batteries

(2011) Jiajun Wang et al.   Energy & Environmental Science

MATERIAL PROBLEMS AND PROSPECTS OF Li-ION BATTERIES FOR VEHICLES APPLICATIONS

(2011) J. MOLENDA   Functional Materials Letters

Investigations on the influence of the substrate on the crystal structure of sputtered LiCoO2

(2011) Laura Bohne et al.   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Two-dimensional polyphenylene: experimentally available porous graphene as a hydrogen purification membrane

(2010) Yafei Li et al.   CHEMICAL COMMUNICATIONS

Architecture of graphdiyne nanoscale films

(2010) Guoxing Li et al.   CHEMICAL COMMUNICATIONS

Ergodicity of the Stochastic Nosé–Hoover Heat Bath

(2010) Wei Chung Lo et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Challenges for Rechargeable Li Batteries†

(2009) John B. Goodenough et al.   CHEMISTRY OF MATERIALS

Porous Graphene as the Ultimate Membrane for Gas Separation

(2009) De-en Jiang et al.   NANO LETTERS

Tin-Nanoparticles Encapsulated in Elastic Hollow Carbon Spheres for High-Performance Anode Material in Lithium-Ion Batteries

(2008) Wei-Ming Zhang et al.   ADVANCED MATERIALS

Selective Ion Passage through Functionalized Graphene Nanopores

(2008) Kyaw Sint et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY