Boron-phosphorous doped graphyne: A near-infrared light absorber

Synthesis of γ-graphyne by mechanochemistry and its electronic structure

(2018) Qiaodan Li et al.   CARBON

Raman and IR signature of pristine and BN- doped γ-graphyne from first-principle

(2018) Barnali Bhattacharya et al.   CARBON

Computational prediction of the diversity of monolayer boron phosphide allotropes

(2016) Zhili Zhu et al.   APPLIED PHYSICS LETTERS

Graphyne–graphene (nitride) heterostructure as nanocapacitor

(2016) Barnali Bhattacharya et al.   CHEMICAL PHYSICS

First-Principles Prediction of the Electronic Structure and Carrier Mobility in Hexagonal Boron Phosphide Sheet and Nanoribbons

(2016) Bowen Zeng et al.   Journal of Physical Chemistry C

Electronic Properties of Homo- and Heterobilayer Graphyne: The Idea of a Nanocapacitor

(2016) Barnali Bhattacharya et al.   Journal of Physical Chemistry C

The Effect of Boron and Nitrogen Doping in Electronic, Magnetic, and Optical Properties of Graphyne

(2016) Barnali Bhattacharya et al.   Journal of Physical Chemistry C

Single-layer cadmium chalcogenides: promising visible-light driven photocatalysts for water splitting

(2016) Jiajun Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First principle study of sodium decorated graphyne

(2015) Utpal Sarkar et al.   CHEMICAL PHYSICS

First-Principles Study on Electronic and Optical Properties of Graphene-Like Boron Phosphide Sheets

(2015) Shao-feng Wang et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

Pristine and BN doped graphyne derivatives for UV light protection

(2015) Barnali Bhattacharya et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

High thermoelectric performance in two-dimensional graphyne sheets predicted by first-principles calculations

(2015) Xiaojian Tan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Realization of a p–n junction in a single layer boron-phosphide

(2015) Deniz Çakır et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic and optical properties of pristine and boron–nitrogen doped graphyne nanotubes

(2015) B. Bhattacharya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-temperature superconductivity in heavily N- or B-doped graphene

(2015) Jian Zhou et al.   PHYSICAL REVIEW B

Functional Nanomaterials for Phototherapies of Cancer

(2014) Liang Cheng et al.   CHEMICAL REVIEWS

Boron Nitride–Graphene Nanocapacitor and the Origins of Anomalous Size-Dependent Increase of Capacitance

(2014) Gang Shi et al.   NANO LETTERS

A first principle study of pristine and BN-doped graphyne family

(2014) Ngangbam Bedamani Singh et al.   STRUCTURAL CHEMISTRY

Optical properties of hexagonal boron nanotubes by first-principles calculations

(2013) Sandeep Kumar Jain et al.   JOURNAL OF APPLIED PHYSICS

Transition Metal Decorated Graphyne: An Efficient Catalyst for Oxygen Reduction Reaction

(2013) K. Srinivasu et al.   Journal of Physical Chemistry C

Exciton spectra in two-dimensional graphene derivatives

(2013) Shouting Huang et al.   PHYSICAL REVIEW B

Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting

(2013) Xingxing Li et al.   Scientific Reports

Graphyne and Graphdiyne: Promising Materials for Nanoelectronics and Energy Storage Applications

(2012) K. Srinivasu et al.   Journal of Physical Chemistry C

Construction of graphdiyne nanowires with high-conductivity and mobility

(2011) Xuemin Qian et al.   DALTON TRANSACTIONS

Electronic structures and bonding of graphyne sheet and its BN analog

(2011) Jian Zhou et al.   JOURNAL OF CHEMICAL PHYSICS

Elastic, Electronic, and Optical Properties of Two-Dimensional Graphyne Sheet

(2011) Jun Kang et al.   Journal of Physical Chemistry C

Construction of Tubular Molecule Aggregations of Graphdiyne for Highly Efficient Field Emission

(2011) Guoxing Li et al.   Journal of Physical Chemistry C

High Capacity Hydrogen Storage in Ca Decorated Graphyne: A First-Principles Study

(2011) Chong Li et al.   Journal of Physical Chemistry C

Architecture of graphdiyne nanoscale films

(2010) Guoxing Li et al.   CHEMICAL COMMUNICATIONS

Graphene in Mice: Ultrahigh In Vivo Tumor Uptake and Efficient Photothermal Therapy

(2010) Kai Yang et al.   NANO LETTERS

yambo: An ab initio tool for excited state calculations

(2009) Andrea Marini et al.   COMPUTER PHYSICS COMMUNICATIONS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations

(2009) H. Şahin et al.   PHYSICAL REVIEW B

First-principles study of two- and one-dimensional honeycomb structures of boron nitride

(2009) M. Topsakal et al.   PHYSICAL REVIEW B

The electronic properties of graphene

(2009) A. H. Castro Neto et al.   REVIEWS OF MODERN PHYSICS

A metal-free polymeric photocatalyst for hydrogen production from water under visible light

(2008) Xinchen Wang et al.   NATURE MATERIALS

Quantum conductance of graphene nanoribbons with edge defects

(2008) T. C. Li et al.   PHYSICAL REVIEW B

Synthesis and properties of annulenic subunits of graphyne and graphdiyne nanoarchitectures

(2008) Michael M. Haley   PURE AND APPLIED CHEMISTRY