The development of two dimensional group IV chalcogenides, blocks for van der Waals heterostructures

Half-Metallic Ferromagnetism and Surface Functionalization-Induced Metal–Insulator Transition in Graphene-like Two-Dimensional Cr2C Crystals

(2015) Chen Si et al.   ACS Applied Materials & Interfaces

Herringbone structure in GeTe-based thermoelectric materials

(2015) Ho Seong Lee et al.   ACTA MATERIALIA

Lattice dynamics and chemical bonding in Sb2Te3 from first-principles calculations

(2015) Bao-Tian Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Computational Screening of 2D Materials for Photocatalysis

(2015) Arunima K. Singh et al.   Journal of Physical Chemistry Letters

Two-Dimensional Topological Crystalline Insulator and Topological Phase Transition in TlSe and TlS Monolayers

(2015) Chengwang Niu et al.   NANO LETTERS

In situ synthesis of a large area boron nitride/graphene monolayer/boron nitride film by chemical vapor deposition

(2015) Qinke Wu et al.   Nanoscale

Epitaxial growth of two-dimensional stanene

(2015) Feng-feng Zhu et al.   NATURE MATERIALS

Stacked 2D materials shed light

(2015) Xiaomu Wang et al.   NATURE MATERIALS

Giant multiferroic effects in topological GeTe-Sb2Te3superlattices

(2015) Junji Tominaga et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

A chemical link between Ge–Sb–Te and In–Sb–Te phase-change materials

(2015) Volker L. Deringer et al.   Journal of Materials Chemistry C

Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility

(2014) Han Liu et al.   ACS Nano

Computational prediction of two-dimensional group-IV mono-chalcogenides

(2014) Arunima K. Singh et al.   APPLIED PHYSICS LETTERS

YPHON: A package for calculating phonons of polar materials

(2014) Yi Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Electron interactions and Dirac fermions in graphene-Ge2Sb2Te5 superlattices

(2014) Baisheng Sa et al.   JOURNAL OF APPLIED PHYSICS

Design of High-Efficiency Visible-Light Photocatalysts for Water Splitting: MoS2/AlN(GaN) Heterostructures

(2014) Jiamin Liao et al.   Journal of Physical Chemistry C

Strain Engineering for Phosphorene: The Potential Application as a Photocatalyst

(2014) Baisheng Sa et al.   Journal of Physical Chemistry C

Evidence for Active Atomic Defects in Monolayer Hexagonal Boron Nitride: A New Mechanism of Plasticity in Two-Dimensional Materials

(2014) Ovidiu Cretu et al.   NANO LETTERS

Engineering electronic properties of layered transition-metal dichalcogenide compounds through alloying

(2014) Alex Kutana et al.   Nanoscale

The role of graphene for electrochemical energy storage

(2014) Rinaldo Raccichini et al.   NATURE MATERIALS

Ab-initiocalculations and structural studies of (SiTe)2(Sb2Te3)n(n: 1, 2, 4 and 6) phase-change superlattice films

(2014) Y. Saito et al.   Physica Status Solidi-Rapid Research Letters

Functionalized germanene as a prototype of large-gap two-dimensional topological insulators

(2014) Chen Si et al.   PHYSICAL REVIEW B

Detecting topological currents in graphene superlattices

(2014) R. V. Gorbachev et al.   SCIENCE

First-principles investigations of electronic and mechanical properties for stable Ge2Sb2Te5 with van der Waals corrections

(2013) Baisheng Sa et al.   COMPUTATIONAL MATERIALS SCIENCE

Graphene oxide as a chemically tunable 2-D material for visible-light photocatalyst applications

(2013) Xue Jiang et al.   JOURNAL OF CATALYSIS

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Van der Waals heterostructures

(2013) A. K. Geim et al.   NATURE

When thermoelectrics reached the nanoscale

(2013) Joseph P. Heremans et al.   Nature Nanotechnology

Computational discovery of single-layer III-V materials

(2013) Houlong L. Zhuang et al.   PHYSICAL REVIEW B

High thermoelectric performance by resonant dopant indium in nanostructured SnTe

(2013) Q. Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural and Vibrational Properties of Layered Data Storage Material: Ge2Sb2Te5

(2013) Baisheng Sa et al.   Science of Advanced Materials

Single-layer MoS2 as an efficient photocatalyst

(2013) Yunguo Li et al.   Catalysis Science & Technology

Ferroelectric Order Control of the Dirac-Semimetal Phase in GeTe-Sb2Te3Superlattices

(2013) J. Tominaga et al.   Advanced Materials Interfaces

Experimental realization of a topological crystalline insulator in SnTe

(2012) Y. Tanaka et al.   Nature Physics

Nature of defects and gap states in GeTe model phase change materials

(2012) B. Huang et al.   PHYSICAL REVIEW B

Topological Insulating inGeTe/Sb2Te3Phase-Change Superlattice

(2012) Baisheng Sa et al.   PHYSICAL REVIEW LETTERS

van der Waals Bonding in Layered Compounds from Advanced Density-Functional First-Principles Calculations

(2012) T. Björkman et al.   PHYSICAL REVIEW LETTERS

Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon

(2012) Patrick Vogt et al.   PHYSICAL REVIEW LETTERS

Sb-rich Si-Sb-Te phase change material for multilevel data storage: The degree of disorder in the crystalline state

(2011) Xilin Zhou et al.   APPLIED PHYSICS LETTERS

Electrical-field induced giant magnetoresistivity in (non-magnetic) phase change films

(2011) Junji Tominaga et al.   APPLIED PHYSICS LETTERS

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Interfacial phase-change memory

(2011) R. E. Simpson et al.   Nature Nanotechnology

Pressure-induced topological insulating behavior in the ternary chalcogenide Ge2Sb2Te5

(2011) Baisheng Sa et al.   PHYSICAL REVIEW B

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio study of the structure and chemical bonding of stable Ge3Sb2Te6

(2010) Baisheng Sa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Covalent radii revisited

(2008) Beatriz Cordero et al.   DALTON TRANSACTIONS

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY