4.8 Article

High-Throughput Computational Screening of Two-Dimensional Semiconductors

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Computer Science, Interdisciplinary Applications

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

Vei Wang et al.

Summary: VASPKIT is a command-line program that provides a robust and user-friendly interface for high-throughput analysis of material properties. It consists of pre-and post-processing modules, can run on different platforms, and offers rich functionalities and a user-friendly interface.

COMPUTER PHYSICS COMMUNICATIONS (2021)

Article Multidisciplinary Sciences

Wafer-scale single-crystal hexagonal boron nitride monolayers on Cu (111)

Tse-An Chen et al.

NATURE (2020)

Article Engineering, Mechanical

Elastic anisotropy measure for two-dimensional crystals

Ruishan Li et al.

EXTREME MECHANICS LETTERS (2020)

Article Nanoscience & Nanotechnology

Energy, Phonon, and Dynamic Stability Criteria of Two-Dimensional Materials

Oleksandr I. Malyi et al.

ACS APPLIED MATERIALS & INTERFACES (2019)

Editorial Material Materials Science, Multidisciplinary

Comment on 'The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals'

Marcin Mazdziarz

2D MATERIALS (2019)

Article Chemistry, Physical

Tunable Band Gaps of In(x)Gai(1-x)N Alloys: From Bulk to Two-Dimensional Limit

V. Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Nanoscience & Nanotechnology

Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds

Nicolas Mounet et al.

NATURE NANOTECHNOLOGY (2018)

Review Materials Science, Multidisciplinary

The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals

Sten Haastrup et al.

2D MATERIALS (2018)

Article Chemistry, Physical

Lattice Defects and the Mechanical Anisotropy of Borophene

V. Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

Review Physics, Condensed Matter

Computational methods for 2D materials: discovery, property characterization, and application design

J. T. Paul et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2017)

Article Chemistry, Multidisciplinary

Probing Single Vacancies in Black Phosphorus at the Atomic Level

Brian Kiraly et al.

NANO LETTERS (2017)

Article Physics, Multidisciplinary

Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials

Michael Ashton et al.

PHYSICAL REVIEW LETTERS (2017)

Article Multidisciplinary Sciences

Mechanical properties of atomically thin boron nitride and the role of interlayer interactions

Aleksey Falin et al.

NATURE COMMUNICATIONS (2017)

Article Materials Science, Multidisciplinary

Predicting stable phase monolayer Mo2C (MXene), a superconductor with chemically-tunable critical temperature

Jincheng Lei et al.

JOURNAL OF MATERIALS CHEMISTRY C (2017)

Review Nanoscience & Nanotechnology

2D transition metal dichalcogenides

Sajedeh Manzeli et al.

NATURE REVIEWS MATERIALS (2017)

Review Chemistry, Multidisciplinary

Negative Poisson's Ratio in Modern Functional Materials

Chuanwei Huang et al.

ADVANCED MATERIALS (2016)

Article Chemistry, Multidisciplinary

Auxetic Black Phosphorus: A 2D Material with Negative Poisson's Ratio

Yuchen Du et al.

NANO LETTERS (2016)

Article Chemistry, Multidisciplinary

Can Two-Dimensional Boron Superconduct?

Evgeni S. Penev et al.

NANO LETTERS (2016)

Review Chemistry, Multidisciplinary

Group IVB transition metal trichalcogenides: a new class of 2D layered materials beyond graphene

Jun Dai et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2016)

Article Materials Science, Multidisciplinary

Influence of out-of-plane response on optical properties of two-dimensional materials: First principles approach

Lars Matthes et al.

PHYSICAL REVIEW B (2016)

Article Materials Science, Multidisciplinary

Band alignment of two-dimensional semiconductors for designing heterostructures with momentum space matching

V. Ongun Ozcelik et al.

PHYSICAL REVIEW B (2016)

Article Chemistry, Multidisciplinary

TiS3 Transistors with Tailored Morphology and Electrical Properties

Joshua O. Island et al.

ADVANCED MATERIALS (2015)

Article Chemistry, Multidisciplinary

Titanium Trisulfide Monolayer: Theoretical Prediction of a New Direct-Gap Semiconductor with High and Anisotropic Carrier Mobility

Jun Dai et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

Article Physics, Applied

Negative Poisson's ratios in few-layer orthorhombic arsenic: First-principles calculations

Jianwei Han et al.

APPLIED PHYSICS EXPRESS (2015)

Review Chemistry, Multidisciplinary

Physical and chemical tuning of two-dimensional transition metal dichalcogenides

Haotian Wang et al.

CHEMICAL SOCIETY REVIEWS (2015)

Review Chemistry, Multidisciplinary

Semiconducting black phosphorus: synthesis, transport properties and electronic applications

Han Liu et al.

CHEMICAL SOCIETY REVIEWS (2015)

Article Chemistry, Physical

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

Filip A. Rasmussen et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Chemistry, Multidisciplinary

Electro-mechanical anisotropy of phosphorene

Luqing Wang et al.

NANOSCALE (2015)

Article Chemistry, Physical

Epitaxial growth of two-dimensional stanene

Feng-feng Zhu et al.

NATURE MATERIALS (2015)

Article Nanoscience & Nanotechnology

Highly anisotropic and robust excitons in monolayer black phosphorus

Xiaomu Wang et al.

NATURE NANOTECHNOLOGY (2015)

Article Chemistry, Physical

Mechanical properties of monolayer sulphides: a comparative study between MoS2, HfS2 and TiS3

Jun Kang et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Single layer of MX3 (M = Ti, Zr; X = S, Se, Te): a new platform for nano-electronics and optics

Yingdi Jin et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Materials Science, Multidisciplinary

Heats of formation of solids with error estimation: The mBEEF functional with and without fitted reference energies

Mohnish Pandey et al.

PHYSICAL REVIEW B (2015)

Article Materials Science, Multidisciplinary

Native point defects in few-layer phosphorene

V. Wang et al.

PHYSICAL REVIEW B (2015)

Article Multidisciplinary Sciences

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

Andrew J. Mannix et al.

SCIENCE (2015)

Article Nanoscience & Nanotechnology

First principles phonon calculations in materials science

Atsushi Togo et al.

SCRIPTA MATERIALIA (2015)

Review Chemistry, Multidisciplinary

Band Engineering for Novel Two-Dimensional Atomic Layers

Qingsheng Zeng et al.

Review Chemistry, Multidisciplinary

Elemental Analogues of Graphene: Silicene, Germanene, Stanene, and Phosphorene

Sivacarendran Balendhran et al.

Article Chemistry, Multidisciplinary

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

Han Liu et al.

ACS NANO (2014)

Article Chemistry, Multidisciplinary

Buckled Germanene Formation on Pt(111)

Linfei Li et al.

ADVANCED MATERIALS (2014)

Article Nanoscience & Nanotechnology

Black phosphorus field-effect transistors

Likai Li et al.

NATURE NANOTECHNOLOGY (2014)

Article Multidisciplinary Sciences

Negative poisson's ratio in single-layer black phosphorus

Jin-Wu Jiang et al.

NATURE COMMUNICATIONS (2014)

Article Multidisciplinary Sciences

Layer-dependent Band Alignment and Work Function of Few-Layer Phosphorene

Yongqing Cai et al.

SCIENTIFIC REPORTS (2014)

Article Physics, Multidisciplinary

Exploration for Two-Dimensional Electrides via Database Screening and Ab Initio Calculation

Takeshi Inoshita et al.

PHYSICAL REVIEW X (2014)

Article Chemistry, Multidisciplinary

Stability and Exfoliation of Germanane: A Germanium Graphane Analogue

Elisabeth Bianco et al.

ACS NANO (2013)

Review Chemistry, Multidisciplinary

Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene

Sheneve Z. Butler et al.

ACS NANO (2013)

Article Physics, Applied

Band offsets and heterostructures of two-dimensional semiconductors

Jun Kang et al.

APPLIED PHYSICS LETTERS (2013)

Review Chemistry, Multidisciplinary

Graphene-Like Two-Dimensional Materials

Mingsheng Xu et al.

CHEMICAL REVIEWS (2013)

Article Materials Science, Multidisciplinary

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

Shyue Ping Ong et al.

COMPUTATIONAL MATERIALS SCIENCE (2013)

Review Chemistry, Multidisciplinary

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

Manish Chhowalla et al.

NATURE CHEMISTRY (2013)

Review Chemistry, Multidisciplinary

Binary and Ternary Atomic Layers Built from Carbon, Boron, and Nitrogen

Li Song et al.

ADVANCED MATERIALS (2012)

Article Chemistry, Physical

Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure

C. Ataca et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2012)

Review Nanoscience & Nanotechnology

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

Qing Hua Wang et al.

NATURE NANOTECHNOLOGY (2012)

Article Physics, Multidisciplinary

Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon

Patrick Vogt et al.

PHYSICAL REVIEW LETTERS (2012)

Review Chemistry, Physical

Poisson's ratio and modern materials

G. N. Greaves et al.

NATURE MATERIALS (2011)

Article Nanoscience & Nanotechnology

Single-layer MoS2 transistors

B. Radisavljevic et al.

NATURE NANOTECHNOLOGY (2011)

Article Chemistry, Multidisciplinary

Synthesis and Optical Properties of Monolayer Organosilicon Nanosheets

Yusuke Sugiyama et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)

Article Chemistry, Multidisciplinary

Silicon Nanosheets and Their Self-Assembled Regular Stacking Structure

Hirotaka Okamoto et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)

Review Nanoscience & Nanotechnology

Graphene transistors

Frank Schwierz

NATURE NANOTECHNOLOGY (2010)

Correction Physics, Condensed Matter

Auxetic properties and anisotropy of elastic material constants of 2D crystalline media (vol 245, pg 562, 2008)

Cz. Jasiukiewicz et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2010)

Article Physics, Multidisciplinary

Atomically Thin MoS2: A New Direct-Gap Semiconductor

Kin Fai Mak et al.

PHYSICAL REVIEW LETTERS (2010)

Article Materials Science, Multidisciplinary

Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations

H. Sahin et al.

PHYSICAL REVIEW B (2009)

Article Physics, Multidisciplinary

Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium

S. Cahangirov et al.

PHYSICAL REVIEW LETTERS (2009)

Article Physics, Condensed Matter

Hybrid functionals applied to extended systems

M. Marsman et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2008)

Article Physics, Condensed Matter

Auxetic properties and anisotropy of elastic material constants of 2D crystalline media

Cz. Jasiukiewicz et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2008)

Article Materials Science, Multidisciplinary

Accelerating ab initio calculation of phonon dispersion curves: q-point convergence

Katalin Gaal-Nagy

PHYSICAL REVIEW B (2008)

Article Multidisciplinary Sciences

Measurement of the elastic properties and intrinsic strength of monolayer graphene

Changgu Lee et al.

SCIENCE (2008)

Article Materials Science, Multidisciplinary

Ab initio calculation of ideal strength and phonon instability of graphene under tension

Fang Liu et al.

PHYSICAL REVIEW B (2007)

Article Chemistry, Physical

Comparison of DFT methods for molecular orbital eigenvalue calculations

Gang Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

Article Chemistry, Physical

Influence of the exchange screening parameter on the performance of screened hybrid functionals

Aliaksandr V. Krukau et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Multidisciplinary

Semiempirical GGA-type density functional constructed with a long-range dispersion correction

Stefan Grimme

JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)

Article Chemistry, Physical

Screened hybrid density functionals applied to solids -: art. no. 154709

J Paier et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Multidisciplinary Sciences

Two-dimensional gas of massless Dirac fermions in graphene

KS Novoselov et al.

NATURE (2005)

Article Multidisciplinary Sciences

Two-dimensional atomic crystals

KS Novoselov et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)

Article Multidisciplinary Sciences

Electric field effect in atomically thin carbon films

KS Novoselov et al.

SCIENCE (2004)

Review Materials Science, Multidisciplinary

On auxetic materials

W Yang et al.

JOURNAL OF MATERIALS SCIENCE (2004)

Article Chemistry, Physical

Hybrid functionals based on a screened Coulomb potential

J Heyd et al.

JOURNAL OF CHEMICAL PHYSICS (2003)