Electronic, Optical, and Elastic Properties of CaFI Monolayer and Acoustic Phonon Dispersion at Hypersonic Frequencies Using Density Functional Theory and beyond with Random Phase Approximation and Bethe–Salpeter Equation

GW ‐BSE Calculations of Electronic Band Gap and Optical Spectrum of ZnFe 2 O 4 : Effect of Cation Distribution and Spin Configuration

(2020) Anna C. Ulpe et al.   CHEMPHYSCHEM

Thermoelectric properties of Janus MXY (M = Pd, Pt; X, Y = S, Se, Te) transition-metal dichalcogenide monolayers from first principles

(2020) Wang-Li Tao et al.   JOURNAL OF APPLIED PHYSICS

Structural and electronic properties of two-dimensional hydrogenated Xenes

(2020) Asad Mahmood et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Structural, elastic, electronic and optical properties of lithium halides (LiF, LiCl, LiBr, and LiI): First-principle calculations

(2020) Jingjing Wang et al.   MATERIALS CHEMISTRY AND PHYSICS

Electronic and optical properties of PbFCl and PbFI monolayers using density functional theory and beyond

(2020) M. Barhoumi et al.   MATERIALS CHEMISTRY AND PHYSICS

Synthesis, Structure and Electronic Properties of Three Tin Oxide Halides

(2020) Manuel Löber et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Electronic and optical properties of bismuth oxyhalides from ab initio calculations

(2020) M. Barhoumi et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Elastic and mechanical properties of cubic diamond and silicon using density functional theory and the random phase approximation

(2020) M. Barhoumi et al.   SOLID STATE COMMUNICATIONS

Magnetic 2D materials and heterostructures

(2019) M. Gibertini et al.   Nature Nanotechnology

Electronic properties of several two dimensional halides from ab initio calculations

(2019) Mohamed Barhoumi et al.   Beilstein Journal of Nanotechnology

DFT study of electronic and optical properties of silicene functionalized with chemical groups

(2019) M. Barhoumi et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Electronic properties of Pb-I deficient lead halide perovskites

(2019) Chao Zheng et al.   JOURNAL OF CHEMICAL PHYSICS

Intriguing electronic and optical properties of two-dimensional Janus transition metal dichalcogenides

(2018) Jun Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Magnetism in two-dimensional van der Waals materials

(2018) Kenneth S. Burch et al.   NATURE

Thermoelectric properties of orthorhombic group IV–VI monolayers from the first-principles calculations

(2017) San-Dong Guo et al.   JOURNAL OF APPLIED PHYSICS

Structural Stabilities and Electronic Properties of High-Angle Grain Boundaries in Perovskite Cesium Lead Halides

(2017) Yaguang Guo et al.   Journal of Physical Chemistry C

The GW approximation: content, successes and limitations

(2017) Lucia Reining   Wiley Interdisciplinary Reviews-Computational Molecular Science

Optical and electronic properties of mixed halide (X = I, Cl, Br) methylammonium lead perovskite solar cells

(2017) Sekai Tombe et al.   Journal of Materials Chemistry C

Hydrothermal synthesis of Li co-doped Zn0.98Mg0.02O nanoparticles and their structural, optical and electrical properties

(2016) S.D. Senol et al.   CERAMICS INTERNATIONAL

Enhanced electronic properties in mesoporous TiO2 via lithium doping for high-efficiency perovskite solar cells

(2016) Fabrizio Giordano et al.   Nature Communications

Growth of MoS2(1–x)Se2x (x = 0.41–1.00) Monolayer Alloys with Controlled Morphology by Physical Vapor Deposition

(2015) Qingliang Feng et al.   ACS Nano

Reliable Exfoliation of Large-Area High-Quality Flakes of Graphene and Other Two-Dimensional Materials

(2015) Yuan Huang et al.   ACS Nano

Stability of two-dimensional PN monolayer sheets and their electronic properties

(2015) ShuangYing Ma et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electric field effect in ultrathin black phosphorus

(2014) Steven P. Koenig et al.   APPLIED PHYSICS LETTERS

An atlas of two-dimensional materials

(2014) Pere Miró et al.   CHEMICAL SOCIETY REVIEWS

Two-dimensional semiconductors with possible high room temperature mobility

(2014) Wenxu Zhang et al.   Nano Research

Electrons and phonons in single layers of hexagonal indium chalcogenides fromab initiocalculations

(2014) V. Zólyomi et al.   PHYSICAL REVIEW B

Rediscovering black phosphorus as an anisotropic layered material for optoelectronics and electronics

(2014) Fengnian Xia et al.   Nature Communications

Van der Waals heterostructures

(2013) A. K. Geim et al.   NATURE

Band structure and optical transitions in atomic layers of hexagonal gallium chalcogenides

(2013) V. Zólyomi et al.   PHYSICAL REVIEW B

Tuning Electronic Structure of Bilayer MoS2 by Vertical Electric Field: A First-Principles Investigation

(2012) Qihang Liu et al.   Journal of Physical Chemistry C

Electric-Field-Induced Energy Gap in Few-Layer Graphene

(2011) Kechao Tang et al.   Journal of Physical Chemistry C

Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials

(2011) J. N. Coleman et al.   SCIENCE

100-GHz Transistors from Wafer-Scale Epitaxial Graphene

(2010) Y.-M. Lin et al.   SCIENCE

Large-scale pattern growth of graphene films for stretchable transparent electrodes

(2009) Keun Soo Kim et al.   NATURE

Observation of an Electric-Field-Induced Band Gap in Bilayer Graphene by Infrared Spectroscopy

(2009) Kin Fai Mak et al.   PHYSICAL REVIEW LETTERS

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

The electronic properties of graphene

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

Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils

(2009) X. Li et al.   SCIENCE

Scaling law of the giant Stark effect in boron nitride nanoribbons and nanotubes

(2008) Fawei Zheng et al.   PHYSICAL REVIEW B

Giant Intrinsic Carrier Mobilities in Graphene and Its Bilayer

(2008) S. V. Morozov et al.   PHYSICAL REVIEW LETTERS

Fine Structure Constant Defines Visual Transparency of Graphene

(2008) R. R. Nair et al.   SCIENCE