Impacts of structural downscaling of inorganic molecular crystals - A DFT study of Sb2O3

[1]  M. Alkhedher,et al.  A first-principles study on two-dimensional tetragonal samarium nitride as a novel photocatalyst for hydrogen production , 2023, International Journal of Hydrogen Energy.

[2]  Alia Jabeen,et al.  On downscaling of the tantalum oxides from three to zero dimensions , 2022, Materials Science in Semiconductor Processing.

[3]  T. Zhai,et al.  Emerging Two-Dimensional Inorganic Molecular Crystals: The Concept and Beyond. , 2022, The journal of physical chemistry letters.

[4]  Xiang Chen,et al.  A wafer-scale van der Waals dielectric made from an inorganic molecular crystal film , 2021, Nature Electronics.

[5]  Z. Almutairi,et al.  On the prospects of layeredness in tantalum pentoxide , 2021 .

[6]  Tien-Lin Lee,et al.  Band alignment of Sb2O3 and Sb2Se3 , 2021 .

[7]  H. Sirringhaus,et al.  Sub-5 nm single crystalline organic p–n heterojunctions , 2021, Nature Communications.

[8]  M. Addicoat,et al.  Effect of unwanted guest molecules on the stacking configuration of covalent organic frameworks: a periodic energy decomposition analysis. , 2020, Physical chemistry chemical physics : PCCP.

[9]  A. Michaelides,et al.  Machine Learning Potential for Hexagonal Boron Nitride Applied to Thermally and Mechanically Induced Rippling , 2020, The Journal of Physical Chemistry C.

[10]  Gernot Frenking,et al.  Energy decomposition analysis , 2020, Catalysis from A to Z.

[11]  Ruixia Wu,et al.  In-plane crystal field constrained electronic structure of stanene , 2020, Applied Physics Letters.

[12]  Li Wei,et al.  Synthesis of graphene materials by electrochemical exfoliation: Recent progress and future potential , 2019, Carbon Energy.

[13]  Fengzhou Fang,et al.  Periodic energy decomposition analysis for electronic transport studies as a tool for atomic scale device manufacturing , 2019, International Journal of Extreme Manufacturing.

[14]  Quan‐lan Xiao,et al.  2D Layered Materials: Synthesis, Nonlinear Optical Properties, and Device Applications , 2019, Laser & Photonics Reviews.

[15]  Yi Cui,et al.  Two-dimensional inorganic molecular crystals , 2019, Nature Communications.

[16]  P. Hyldgaard,et al.  Screening nature of the van der Waals density functional method: a review and analysis of the many-body physics foundation , 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

[17]  N. Hieu,et al.  Electronic properties of WS2 and WSe2 monolayers with biaxial strain: A first-principles study , 2019, Chemical Physics.

[18]  Amra Bratovcic.  Different Applications of Nanomaterials and Their Impact on the Environment , 2019, International Journal of Material Science and Engineering.

[19]  Han Chen,et al.  Synthesis of a symmetric bundle-shaped Sb2O3 and its application for anode materials in lithium ion batteries , 2018 .

[20]  Beng Kang Tay,et al.  Electronic Properties of Bulk and Monolayer TMDs: Theoretical Study Within DFT Framework (GVJ‐2e Method) , 2017 .

[21]  L. Yin,et al.  Two‐Dimensional Non‐Layered Materials: Synthesis, Properties and Applications , 2017 .

[22]  M. Amlouk,et al.  Synthesis, optical characterization and DFT calculations of electronic structure of Sb2O3 films obtained by thermal oxidation of Sb2S3 , 2016 .

[23]  Md. Sajibul Alam Bhuyan,et al.  Synthesis of graphene , 2016, International Nano Letters.

[24]  R. Tonner,et al.  A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems. , 2015, The Journal of chemical physics.

[25]  Mi Yan,et al.  Reversible conversion-alloying of Sb2O3 as a high-capacity, high-rate, and durable anode for sodium ion batteries. , 2014, ACS applied materials & interfaces.

[26]  M. Dresselhaus,et al.  Raman enhancement effect on two-dimensional layered materials: graphene, h-BN and MoS2. , 2014, Nano letters.

[27]  Qing Zhang,et al.  Few-layer MoS2: a promising layered semiconductor. , 2014, ACS nano.

[28]  K. Chattopadhyay,et al.  Equibiaxial strain: tunable electronic structure and optical properties of bulk and monolayer MoSe2 , 2013 .

[29]  F. M. Peeters,et al.  Anomalous Raman spectra and thickness-dependent electronic properties of WSe2 , 2013, 1303.5861.

[30]  Alexander I Boldyrev,et al.  Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systems. , 2013, Physical chemistry chemical physics : PCCP.

[31]  Florian Janetzko,et al.  Implementation of empirical dispersion corrections to density functional theory for periodic systems , 2012, J. Comput. Chem..

[32]  W. Duan,et al.  Topological and electronic transitions in a Sb(111) nanofilm: The interplay between quantum confinement and surface effect , 2012 .

[33]  J. R. Schmidt,et al.  Generalization of Natural Bond Orbital Analysis to Periodic Systems: Applications to Solids and Surfaces via Plane-Wave Density Functional Theory. , 2012, Journal of chemical theory and computation.

[34]  Zhengzheng Shao,et al.  Mechanical and electronic properties of monolayer MoS2 under elastic strain , 2012 .

[35]  Dmitri Golberg,et al.  Inorganic semiconductor nanostructures and their field-emission applications , 2008 .

[36]  Lide Zhang,et al.  Regular MgO nanoflowers and their enhanced dielectric responses , 2006 .

[37]  X. Fang,et al.  Twinning‐Mediated Growth of Al2O3 Nanobelts and Their Enhanced Dielectric Responses , 2005 .

[38]  Zhong Lin Wang.  Zinc oxide nanostructures: growth, properties and applications , 2004 .

[39]  J. Bai,et al.  Synthesis of Inorganic Fullerene-Like Molecules , 2003, Science.

[40]  Jae Hee Song,et al.  Inorganic semiconductor nanowires: rational growth, assembly, and novel properties. , 2002, Chemistry.

[41]  S. Batsanov,et al.  Van der Waals Radii of Elements , 2001 .

[42]  A. Rauk,et al.  A theoretical study of the ethylene-metal bond in complexes between copper(1+), silver(1+), gold(1+), platinum(0) or platinum(2+) and ethylene, based on the Hartree-Fock-Slater transition-state method , 1979 .

[43]  Kazuo Kitaura,et al.  A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation , 1976 .

[44]  M. Klein,et al.  The rise of self-consistent phonon theory , 1972 .

[45]  G. Frenking,et al.  Energy decomposition analysis , 2018 .

[46]  Utkarsh Sharma,et al.  Advance Applications of Nanomaterials: A Review , 2018 .

[47]  A. Majid,et al.  Cadmium based II-VI Semiconducting Nanomaterials , 2018 .