A first-principles study on alkaline earth metal atom substituted monolayer boron nitride (BN)

First-principles study on hydrogen adsorption on nitrogen doped graphene

(2017) Rafique Muhammad et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Manipulating intrinsic behaviors of graphene by substituting alkaline earth metal atoms in its structure

(2017) Muhammad Rafique et al.   RSC Advances

Tuning of the electronic and optical properties of single-layer boron nitride by strain and stress

(2016) Jaafar Jalilian et al.   DIAMOND AND RELATED MATERIALS

Structural and Electronic Properties of Graphdiyne Carbon Nanotubes from Large-Scale DFT Calculations

(2016) Sangavi Pari et al.   Journal of Physical Chemistry C

Long Range Functionalization of h-BN Monolayer by Carbon Doping

(2016) Min Gao et al.   Journal of Physical Chemistry C

Theoretical study of electronic and optical properties of BN, GaN and B x Ga 1−x N in zinc blende and wurtzite structures

(2016) A. Said et al.   OPTIK

Electronic and magnetic behaviors of graphene with 5d series transition metal atom substitutions: A first-principles study

(2016) Minglei Sun et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Substitutional 4d and 5d impurities in graphene

(2016) Tomás Alonso-Lanza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tuning electronic and magnetic properties of blue phosphorene by doping Al, Si, As and Sb atom: A DFT calculation

(2016) Minglei Sun et al.   SOLID STATE COMMUNICATIONS

A first-principles study of light non-metallic atom substituted blue phosphorene

(2015) Minglei Sun et al.   APPLIED SURFACE SCIENCE

First-principles study of the alkali earth metal atoms adsorption on graphene

(2015) Minglei Sun et al.   APPLIED SURFACE SCIENCE

Electronic and optical properties of h-BN nanosheet: A first principles calculation

(2015) Razieh Beiranvand et al.   DIAMOND AND RELATED MATERIALS

Band-gap tuning of graphene by Be doping and Be, B co-doping: a DFT study

(2015) Saif Ullah et al.   RSC Advances

Nonlinear Optical Properties and Temperature-Dependent UV-Vis Absorption and Photoluminescence Emission in 2D Hexagonal Boron Nitride Nanosheets

(2015) Pathik Kumbhakar et al.   Advanced Optical Materials

Bimetallic two-dimensional PtAg coverage on h-BN substrate: First-principles calculations

(2014) F. Ersan et al.   APPLIED SURFACE SCIENCE

Structural and electronic properties of MnO3(4) superhalogen clusters embedded in graphene

(2014) Dan Li et al.   CHEMICAL PHYSICS LETTERS

Results for aliovalent doping of CeBr3 with Ca2+

(2014) Paul Guss et al.   JOURNAL OF APPLIED PHYSICS

Effect of Si doping on the electronic properties of BN monolayer

(2014) Sanjeev K. Gupta et al.   Nanoscale

Ab initio study of TaON, an active photocatalyst under visible light irradiation

(2014) A. H. Reshak   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical study on Si-doped hexagonal boron nitride ( h -BN) sheet: Electronic, magnetic properties, and reactivity

(2014) Yue-jie Liu et al.   PHYSICS LETTERS A

Fe2MnSixGe1−x: influence thermoelectric properties of varying the germanium content

(2014) A. H. Reshak   RSC Advances

Thermoelectric properties for AA- and AB-stacking of a carbon nitride polymorph (C3N4)

(2014) A. H. Reshak   RSC Advances

Divacancy-assisted transition metal adsorption on the BN graphene and its interaction with hydrogen molecules: a theoretical study

(2013) Ying Chen et al.   APPLIED SURFACE SCIENCE

Measurement of mobility in dual-gated MoS2 transistors

(2013) Michael S. Fuhrer et al.   Nature Nanotechnology

Linear, non-linear optical susceptibilities and the hyperpolarizability of the mixed crystals Ag0.5Pb1.75Ge(S1−xSex)4: experiment and theory

(2013) A. H. Reshak et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photoelectrical properties and the electronic structure of Tl1−xIn1−xSnxSe2 (x = 0, 0.1, 0.2, 0.25) single crystalline alloys

(2013) G. E. Davydyuk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Metals on Graphene: Interactions, Growth Morphology, and Thermal Stability

(2013) Xiaojie Liu et al.   Crystals

Functionalization of graphane with alkali and alkaline-earth metals: An insulator-to-metallic transition

(2012) T. Hussain et al.   EPL

Vertical field-effect transistor based on graphene–WS2 heterostructures for flexible and transparent electronics

(2012) Thanasis Georgiou et al.   Nature Nanotechnology

Metals on graphene: correlation between adatom adsorption behavior and growth morphology

(2012) Xiaojie Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Defect and impurity properties of hexagonal boron nitride: A first-principles calculation

(2012) Bing Huang et al.   PHYSICAL REVIEW B

Field-Effect Tunneling Transistor Based on Vertical Graphene Heterostructures

(2012) L. Britnell et al.   SCIENCE

Boron Nitride Nanosheet Coatings with Controllable Water Repellency

(2011) Amir Pakdel et al.   ACS Nano

“Chemical Blowing” of Thin-Walled Bubbles: High-Throughput Fabrication of Large-Area, Few-Layered BN and Cx-BN Nanosheets

(2011) Xuebin Wang et al.   ADVANCED MATERIALS

A density functional theory study on CO2 capture and activation by graphene-like boron nitride with boron vacancy

(2011) Yan Jiao et al.   CATALYSIS TODAY

One-dimensional inorganic nanostructures: synthesis, field-emission and photodetection

(2011) Tianyou Zhai et al.   CHEMICAL SOCIETY REVIEWS

Electrical transport properties of the Si-doped cubic boron nitride thin films prepared by in situ cosputtering

(2011) J. Ying et al.   JOURNAL OF APPLIED PHYSICS

Comparing modern density functionals for conjugated polymer band structures: Screened hybrid, Minnesota, and Rung 3.5 approximations

(2011) Benjamin G. Janesko   JOURNAL OF CHEMICAL PHYSICS

Graphene Spin-Valve Device Grown Epitaxially on the Ni(111) Substrate: A First Principles Study

(2011) Yeonchoo Cho et al.   Journal of Physical Chemistry C

Electrostatic Doping of Graphene through Ultrathin Hexagonal Boron Nitride Films

(2011) Menno Bokdam et al.   NANO LETTERS

Local Electronic Properties of Graphene on a BN Substrate via Scanning Tunneling Microscopy

(2011) Régis Decker et al.   NANO LETTERS

Micrometer-Scale Ballistic Transport in Encapsulated Graphene at Room Temperature

(2011) Alexander S. Mayorov et al.   NANO LETTERS

Scanning tunnelling microscopy and spectroscopy of ultra-flat graphene on hexagonal boron nitride

(2011) Jiamin Xue et al.   NATURE MATERIALS

Single-layer MoS2 transistors

(2011) B. Radisavljevic et al.   Nature Nanotechnology

Defect states of complexes involving a vacancy on the boron site in boronitrene

(2011) T. B. Ngwenya et al.   PHYSICAL REVIEW B

Electronic structures of graphene/boron nitride sheet superlattices

(2011) Sirichok Jungthawan et al.   PHYSICAL REVIEW B

Ni(111)|graphene|h-BN junctions as ideal spin injectors

(2011) V. M. Karpan et al.   PHYSICAL REVIEW B

Induced magnetism of carbon atoms at the graphene/Ni(111) interface

(2010) M. Weser et al.   APPLIED PHYSICS LETTERS

A first-principles study of calcium-decorated, boron-doped graphene for high capacity hydrogen storage

(2010) Elham Beheshti et al.   CARBON

Spin and band-gap engineering in copper-doped BN sheet

(2010) Y.G. Zhou et al.   CHEMICAL PHYSICS LETTERS

Boron nitride substrates for high-quality graphene electronics

(2010) C. R. Dean et al.   Nature Nanotechnology

Dispersion of linear and nonlinear optical susceptibilities and the hyperpolarizability of 3-methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole

(2010) Ali. H. Reshak et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Functionalization of BN honeycomb structure by adsorption and substitution of foreign atoms

(2010) C. Ataca et al.   PHYSICAL REVIEW B

Large-Scale Fabrication of Boron Nitride Nanosheets and Their Utilization in Polymeric Composites with Improved Thermal and Mechanical Properties

(2009) Chunyi Zhi et al.   ADVANCED MATERIALS

Divacancies in graphitic boron nitride sheets

(2009) M. S. Si et al.   EPL

Electronic structure of defects in a boron nitride monolayer

(2009) S. Azevedo et al.   EUROPEAN PHYSICAL JOURNAL B

Is There a Rashba Effect in Graphene on3dFerromagnets?

(2009) O. Rader et al.   PHYSICAL REVIEW LETTERS

Embedding Transition-Metal Atoms in Graphene: Structure, Bonding, and Magnetism

(2009) A. V. Krasheninnikov et al.   PHYSICAL REVIEW LETTERS

The two-dimensional phase of boron nitride: Few-atomic-layer sheets and suspended membranes

(2008) D. Pacilé et al.   APPLIED PHYSICS LETTERS

Structure of chemically derived mono- and few-atomic-layer boron nitride sheets

(2008) Wei-Qiang Han et al.   APPLIED PHYSICS LETTERS

Consequences of Spin Contamination in Unrestricted Calculations on Open-Shell Species: Effect of Hartree−Fock and Møller−Plesset Contributions in Hybrid and Double-Hybrid Density Functional Theory Approaches†

(2008) Ambili S. Menon et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Storage of Hydrogen Adsorbed on Alkali Metal Doped Single-Layer All-Carbon Materials

(2008) Adolfo Ferre-Vilaplana   Journal of Physical Chemistry C

Ab initiosupercell calculations on nitrogen-vacancy center in diamond: Electronic structure and hyperfine tensors

(2008) Adam Gali et al.   PHYSICAL REVIEW B

Doping Graphene with Metal Contacts

(2008) G. Giovannetti et al.   PHYSICAL REVIEW LETTERS

Electronic and Magnetic Properties of Quasifreestanding Graphene on Ni

(2008) A. Varykhalov et al.   PHYSICAL REVIEW LETTERS