The comparative study on bulk-PtSe2 and 2D 1-Layer-PtSe2 under high pressure via first-principle calculations

Structural and electronic properties of lead sulfide quantum dots from screened hybrid density functional calculations including spin–orbit coupling effects

(2017) Antonio M. Márquez et al.   THEORETICAL CHEMISTRY ACCOUNTS

First principles study on the electronic structure properties of Keggin polyoxometalates on Carbon substrates for solid-state devices

(2017) Jesús Muñiz et al.   THEORETICAL CHEMISTRY ACCOUNTS

High-Performance Hybrid Electronic Devices from Layered PtSe2 Films Grown at Low Temperature

(2016) Chanyoung Yim et al.   ACS Nano

Structural, mechanical, electronic, and thermodynamic properties of dense B3N4under high pressure predicted from first principles

(2016) Xiao-Chun Mao et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Mechanism for Ag (I)-catalyzed decarboxylative chlorination: a DFT study

(2016) Xiang Zhang   THEORETICAL CHEMISTRY ACCOUNTS

Sodium adsorption and intercalation in bilayer graphene from density functional theory calculations

(2016) Shaobin Yang et al.   THEORETICAL CHEMISTRY ACCOUNTS

Structural, elastic, and thermodynamic properties of hexagonal molybdenum nitrides under high pressure from first principles

(2015) K. Liu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Computational 2D Materials Database: Electronic Structure of Transition-Metal Dichalcogenides and Oxides

(2015) Filip A. Rasmussen et al.   Journal of Physical Chemistry C

Monolayer PtSe2, a New Semiconducting Transition-Metal-Dichalcogenide, Epitaxially Grown by Direct Selenization of Pt

(2015) Yeliang Wang et al.   NANO LETTERS

Theoretical calculations for structural, elastic, and thermodynamic properties of RuN2 under high pressure

(2014) Bing Dong et al.   JOURNAL OF APPLIED PHYSICS

Probing excitonic dark states in single-layer tungsten disulphide

(2014) Ziliang Ye et al.   NATURE

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Optical and photocatalytic properties of novel heterogeneous PtSe2–graphene/TiO2 nanocomposites synthesized via ultrasonic assisted techniques

(2014) Kefayat Ullah et al.   ULTRASONICS SONOCHEMISTRY

Ab initio study of elastic properties of super hard and graphitic structures of C3N4

(2013) George S. Manyali et al.   COMPUTATIONAL MATERIALS SCIENCE

Theoretical calculations for structural, elastic, and thermodynamic properties of c-W3N4 under high pressure

(2013) Ke Liu et al.   JOURNAL OF APPLIED PHYSICS

Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts

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

Role of van der Waals corrections for the PtX2(X=O, S, Se) compounds

(2013) Maurício J. Piotrowski et al.   PHYSICAL REVIEW B

Structure and mechanical properties of tantalum mononitride under high pressure: A first-principles study

(2012) Jing Chang et al.   JOURNAL OF APPLIED PHYSICS

Synthesis of Surface-Functionalized WS2 Nanosheets and Performance as Li-Ion Battery Anodes

(2012) R. Bhandavat et al.   Journal of Physical Chemistry Letters

Stretching and Breaking of Ultrathin MoS2

(2011) Simone Bertolazzi et al.   ACS Nano

The thermochemical behavior of some binary shape memory alloys by high temperature direct synthesis calorimetry

(2011) S.V. Meschel et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Elastic properties of hydrogenated graphene

(2010) Emiliano Cadelano et al.   PHYSICAL REVIEW B

First-principles investigations on elastic and thermodynamic properties of zinc-blende structure BeS

(2008) Chang Jing et al.   Chinese Physics B