The Exchange-Correlation Effects on the Electronic Bands of Hybrid Armchair Single-Walled Carbon Boron Nitride Nanostructure

Boron Nitride Nanotubes for Curcumin Delivery as an Anticancer Drug: A DFT Investigation

(2022) Suleiman Nafiu et al.   Applied Sciences-Basel

Free Vibration of FG-CNTRCs Nano-Plates/Shells with Temperature-Dependent Properties

(2022) Ammar Melaibari et al.   Mathematics

Special Issue of Materials Focused on “Electrical, Thermal and Optical Properties of Nanocarbon Materials”

(2022) Dawid Janas   Materials

A comparison of three DFT exchange–correlation functionals and two basis sets for the prediction of the conformation distribution of hydrated polyglycine

(2021) Ying Yuan et al.   JOURNAL OF CHEMICAL PHYSICS

Thermoelectric Characteristics of Two-Dimensional Structures for Three Different Lattice Compounds of B–C–N and Graphene Counterpart BX (X = P, As, and Sb) Systems

(2021) Somaieh Ahmadi et al.   Journal of Physical Chemistry C

Bio-Surfactant Assisted Aqueous Exfoliation of High-Quality Few-Layered Graphene

(2021) Nasima Akter et al.   Crystals

Synthesis of Thermally Stable h-BN-CNT Hetero-Structures via Microwave Heating of Ethylene under Nickel, Iron, and Silver Catalysts

(2021) Yahaya Saadu Itas et al.   Crystals

Exchange-Correlation Energy Densities and Response Potentials: Connection between two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond

(2020) Sara Giarrusso et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Impact of Defects on Magnetic Properties of Spinel Zinc Ferrite Thin Films

(2020) Vitaly Zviagin et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Boron Nitride Nanotubes Versus Carbon Nanotubes: A Thermal Stability and Oxidation Behavior Study

(2020) Nikolaos Kostoglou et al.   Nanomaterials

Boron Nitride Nanotube (BNNT) Membranes for Energy and Environmental Applications

(2020) Numan Yanar et al.   Membranes

Atomic pseudopotentials for reproducing π-orbital electron behavior in sp2 carbon atoms

(2019) Alexander Punter et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Copper/carbon nanotube composites: research trends and outlook

(2018) Rajyashree M. Sundaram et al.   Royal Society Open Science

Chirality-Selective Functionalization of Semiconducting Carbon Nanotubes with a Reactivity-Switchable Molecule

(2017) Lyndsey R. Powell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The rectifying effect of heterojunctions composed of carbon and boron nitride nanotubes

(2017) Yipeng An et al.   ORGANIC ELECTRONICS

Electronic properties of group-IV monochalcogenide nanoribbons: Studied from first-principles calculations

(2017) Rui Li et al.   PHYSICS LETTERS A

Functionalization of single-walled (n,0) carbon and boron nitride nanotubes by carbonyl derivatives (n = 5, 6): a DFT study

(2016) Parisa Nematollahi et al.   CANADIAN JOURNAL OF CHEMISTRY

Resolution of the Band Gap Prediction Problem for Materials Design

(2016) Jason M. Crowley et al.   Journal of Physical Chemistry Letters

Scalable manufacturing of boron nitride nanotubes and their assemblies: a review

(2016) Keun Su Kim et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Ab initio engineering of materials with stacked hexagonal tin frameworks

(2016) Junping Shao et al.   Scientific Reports

Tuning Electronic Structures of BN and C Double-Wall Hetero-Nanotubes

(2015) Xueran Liu et al.   Journal of Nanomaterials

Group IV Direct Band Gap Photonics: Methods, Challenges, and Opportunities

(2015) Richard Geiger et al.   Frontiers in Materials

Oxygen adsorption characteristics on hybrid carbon and boron-nitride nanotubes

(2014) Haining Liu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Boron Nitride Nanotubes for Spintronics

(2014) Kamal Dhungana et al.   SENSORS

Structural and electronic properties of armchair (7, 7) carbon nanotubes using DFT

(2013) K. Gharbavi et al.   COMPUTATIONAL MATERIALS SCIENCE

Density functional theory studies of carbon nanotube—graphene nanoribbon hybrids

(2013) Akbar Omidvar et al.   Journal of the Iranian Chemical Society

Carbon Nanotubes: A Review on Structure and Their Interaction with Proteins

(2012) N. Saifuddin et al.   Journal of Chemistry

Electronic transport properties of an (8, 0) carbon/boron nitride nanotube heterojunction

(2010) Liu Hong-Xia et al.   Chinese Physics B

Frozen natural orbitals for ionized states within equation-of-motion coupled-cluster formalism

(2010) Arie Landau et al.   JOURNAL OF CHEMICAL PHYSICS

Linking Carbon and Boron-Nitride Nanotubes: Heterojunction Energetics and Band Gap Tuning

(2010) Wei An et al.   Journal of Physical Chemistry Letters

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE