Ab initio insights on the effect of embedding lanthanide atoms on nitrogenated holey doped graphene (g-C2N)

Effect of Cu 2+ doping on the structural, electronic and optical properties of ZnAl 2 O 4 : A combined experimental and DFT+ U study

(2017) W.M. Mulwa et al.   JOURNAL OF LUMINESCENCE

Atomic Adsorption on Nitrogenated Holey Graphene

(2017) Raphael M. Tromer et al.   Journal of Physical Chemistry C

Doping Lanthanide into Perovskite Nanocrystals: Highly Improved and Expanded Optical Properties

(2017) Gencai Pan et al.   NANO LETTERS

Influence of transition metal doping on the electronic and optical properties of ReS2 and ReSe2 monolayers

(2017) Kingsley Onyebuchi Obodo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Controlling the magnetic and optical responses of a MoS2 monolayer by lanthanide substitutional doping: a first-principles study

(2017) Cecil N. M. Ouma et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Half-metallicity in hole-doped nitrogenated honey graphene: A first-principles study

(2017) Jingzhong Zhu et al.   PHYSICS LETTERS A

Three-dimensional holey-graphene/niobia composite architectures for ultrahigh-rate energy storage

(2017) Hongtao Sun et al.   SCIENCE

Two dimensional hexagonal boron nitride (2D-hBN): synthesis, properties and applications

(2017) Kailiang Zhang et al.   Journal of Materials Chemistry C

Edge dominated electronic properties of MoS2/graphene hybrid 2D materials: edge state, electron coupling and work function

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

Two-dimensional van der Waals heterojunctions for functional materials and devices

(2017) Wei Hu et al.   Journal of Materials Chemistry C

Freestanding atomically-thin two-dimensional materials beyond graphene meeting photocatalysis: Opportunities and challenges

(2017) Jun Di et al.   Nano Energy

Understanding and Controlling the Work Function of Perovskite Oxides Using Density Functional Theory

(2016) Ryan Jacobs et al.   ADVANCED FUNCTIONAL MATERIALS

Theoretical perspective on the electronic, magnetic and optical properties of Zn-doped monolayer SnS 2

(2016) Lili Sun et al.   APPLIED SURFACE SCIENCE

Tunable electronic structure of monolayer semiconductor g-C 2 N by adsorbing transition metals: A first-principles study

(2016) Z.D. Zheng et al.   CARBON

Thermal conductivity and mechanical properties of nitrogenated holey graphene

(2016) Bohayra Mortazavi et al.   CARBON

First-principles study of two-dimensional van der Waals heterojunctions

(2016) Wei Hu et al.   COMPUTATIONAL MATERIALS SCIENCE

Energetic, electronic and optical properties of lanthanide doped TiO 2 : An ab initio LDA+ U study

(2016) Winfred M. Mulwa et al.   JOURNAL OF SOLID STATE CHEMISTRY

Spin and orbital magnetic moments and spin anisotropy energies of light rare earth atoms embedded in graphene: A first-principles study

(2016) Ya-Jing Li et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Nitrogenated, phosphorated and arsenicated monolayer holey graphenes

(2016) Mehmet Yagmurcukardes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tuning the electronic structures and magnetism of two-dimensional porous C2N via transition metal embedding

(2016) Juan Du et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural, electronic and magnetic properties of 3d transition metals embedded graphene-like carbon nitride sheet: A DFT + U study

(2016) Shuai Zhang et al.   PHYSICS LETTERS A

2D materials and van der Waals heterostructures

(2016) K. S. Novoselov et al.   SCIENCE

Influence of vacancy defects and 3d transition metal adatoms on the electronic and magnetic properties of graphene

(2016) Qingxiao Zhou et al.   RSC Advances

Carrier-dependent magnetic anisotropy of Gd-adsorbed graphene

(2016) Yuan Lu et al.   AIP Advances

Manganese Doping of Monolayer MoS2: The Substrate Is Critical

(2015) Kehao Zhang et al.   NANO LETTERS

Two-dimensional dichalcogenides for light-harvesting applications

(2015) Bo Peng et al.   Nano Today

Optical properties of transition metal atom adsorbed graphene: A density functional theoretical calculation

(2015) Palash Nath et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Silicene, a promising new 2D material

(2015) Hamid Oughaddou et al.   PROGRESS IN SURFACE SCIENCE

Tunable Schottky contacts in hybrid graphene–phosphorene nanocomposites

(2015) Wei Hu et al.   Journal of Materials Chemistry C

Enhanced field emission properties of doped graphene nanosheets with layered SnS2

(2014) Chandra Sekhar Rout et al.   APPLIED PHYSICS LETTERS

Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE=La–Lu)

(2014) M. Topsakal et al.   COMPUTATIONAL MATERIALS SCIENCE

Charge and magnetic states of Mn-, Fe-, and Co-doped monolayer MoS2

(2014) Xianqing Lin et al.   JOURNAL OF APPLIED PHYSICS

The characteristics of n- and p-type dopants in SnS2monolayer nanosheets

(2014) Congxin Xia et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tunable magnetic properties of transition metal dopedMoS2

(2014) Antonis N. Andriotis et al.   PHYSICAL REVIEW B

First-principles study of 3d transition metal atom adsorption onto graphene: the role of the extended line defect

(2014) Guodong Yu et al.   Journal of Materials Chemistry C

Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems

(2013) Burak Himmetoglu et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

GGA+U studies of the early actinide mononitrides and dinitrides

(2013) K.O. Obodo et al.   JOURNAL OF NUCLEAR MATERIALS

Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts

(2013) Houlong L. Zhuang et al.   Journal of Physical Chemistry C

Experimental Demonstration of Continuous Electronic Structure Tuning via Strain in Atomically Thin MoS2

(2013) Keliang He et al.   NANO LETTERS

AbinitioLSDA and LSDA+Ustudy of pure and Cd-doped cubic lanthanide sesquioxides

(2013) D. Richard et al.   PHYSICAL REVIEW B

Bandgap engineering of graphene by corrugation on lattice-mismatched MgO (111)

(2012) Sung Beom Cho et al.   Journal of Materials Chemistry C

Flexible Holey Graphene Paper Electrodes with Enhanced Rate Capability for Energy Storage Applications

(2011) Xin Zhao et al.   ACS Nano

Graphene based materials: Past, present and future

(2011) Virendra Singh et al.   PROGRESS IN MATERIALS SCIENCE

The electronic properties of graphene

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

Effects of lanthanide doping on electronic structures and optical properties of anatase TiO2 from density functional theory calculations

(2008) Zongyan Zhao et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Probing the Intrinsic Properties of Exfoliated Graphene: Raman Spectroscopy of Free-Standing Monolayers

(2008) Stéphane Berciaud et al.   NANO LETTERS

Free-standing graphene at atomic resolution

(2008) Mhairi H. Gass et al.   Nature Nanotechnology

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE