4.8 Article

The rise of MAX phase alloys - large-scale theoretical screening for the prediction of chemical order and disorder

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 Materials Science, Multidisciplinary

Stability of Zr-Al-C and Ti-Al-C MAX phases: A theoretical study

Angeliki Poulou et al.

Summary: The study calculated the stability of Zr and Ti-based MAX phases at different temperatures using density functional theory, finding that Zr-based MAX phases decompose below room temperature, while Ti2AlC phase is stable at room temperature.

PHYSICAL REVIEW MATERIALS (2021)

Editorial Material Materials Science, Ceramics

A decade of discovery: A review of MXenes, the family of 2D transition metal carbides and nitrides

Yury Gogotsi

AMERICAN CERAMIC SOCIETY BULLETIN (2021)

Review Multidisciplinary Sciences

The world of two-dimensional carbides and nitrides (MXenes)

Armin Vahid Mohammadi et al.

Summary: MXenes, a family of two-dimensional materials, have diverse properties and wide-ranging applications in areas such as optics, catalysis, sensing, and medicine. Future research directions will focus on deepening the fundamental understanding of MXenes properties and exploring their potential for hybridization with other 2D materials.

SCIENCE (2021)

Article Chemistry, Multidisciplinary

Tailored synthesis approach of (Mo2/3Y1/3)2AlC i-MAX and its two-dimensional derivative Mo1.33CTz MXene: enhancing the yield, quality, and performance in supercapacitor applications

Joseph Halim et al.

Summary: In this study, a vacancy-ordered MXene, Mo1.33CTz, was synthesized with higher sample purity and increased yield by using an AlY2.3 alloy instead of elemental Al and Y for the precursor (Mo2/3Y1/3)(2)AlC i-MAX. The MXene showed high volumetric and gravimetric capacitances, and high stability, surpassing those reported for the Sc-based i-MAX precursor. These results demonstrate the potential for producing high-quality MXenes using more abundant elements like Y, reducing waste material, and facilitating the synthesis of high-performance materials.

NANOSCALE (2021)

Article Multidisciplinary Sciences

Multielemental single atom-thick A layers in nanolaminated V2(Sn, A) C (A = Fe, Co, Ni, Mn) for tailoring magnetic properties

Youbing Li et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)

Article Materials Science, Ceramics

Ta-based 413 and 211 MAX phase solid solutions with Hf and Nb

Matteo Griseri et al.

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2020)

Article Chemistry, Multidisciplinary

Theoretical Prediction and Synthesis of a Family of Atomic Laminate Metal Borides with In-Plane Chemical Ordering

Martin Dahlqvist et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Chemistry, Multidisciplinary

Tailoring Electronic and Optical Properties of MXenes through Forming Solid Solutions

Meikang Han et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Chemistry, Physical

Atomically Layered and Ordered Rare-Earth i-MAX Phases: A New Class of Magnetic Quaternary Compounds

Quanzheng Tao et al.

CHEMISTRY OF MATERIALS (2019)

Article Materials Science, Multidisciplinary

High-throughput design of 211-M2AX compounds

Dominik Ohmer et al.

PHYSICAL REVIEW MATERIALS (2019)

Article Chemistry, Physical

A map of the inorganic ternary metal nitrides

Wenhao Sun et al.

NATURE MATERIALS (2019)

Article Chemistry, Physical

The role of decomposition reactions in assessing first-principles predictions of solid stability

Christopher J. Bartel et al.

NPJ COMPUTATIONAL MATERIALS (2019)

Article Nanoscience & Nanotechnology

Theoretical Analysis, Synthesis, and Characterization of 2D W1.33C (MXene) with Ordered Vacancies

Rahele Meshkian et al.

ACS APPLIED NANO MATERIALS (2019)

Article Chemistry, Multidisciplinary

W-Based Atomic Laminates and Their 2D Derivative W1.33C MXene with Vacancy Ordering

Rahele Meshkian et al.

ADVANCED MATERIALS (2018)

Article Chemistry, Multidisciplinary

Selective Etching of Silicon from Ti3SiC2 (MAX) To Obtain 2D Titanium Carbide (MXene)

Mohamed Alhabeb et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)

Article Nanoscience & Nanotechnology

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

Nicolas Mounet et al.

NATURE NANOTECHNOLOGY (2018)

Article Chemistry, Physical

Ab initio modeling of MAX phase solid solutions using the special quasirandom structure approach

C. Jiang et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

Article Chemistry, Physical

Insights into exfoliation possibility of MAX phases to MXenes

Mohammad Khazaei et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (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 Multidisciplinary Sciences

The double solid solution (Zr, Nb)2(Al, Sn)C MAX phase: a steric stability approach

Thomas Lapauw et al.

SCIENTIFIC REPORTS (2018)

Article Chemistry, Physical

Entropy contributions to phase stability in binary random solid solutions

Anus Manzoor et al.

NPJ COMPUTATIONAL MATERIALS (2018)

Article Chemistry, Inorganic & Nuclear

Evidence for Symmetry Reduction in Ti3(Al1-δCuδ)C2 MAX Phase Solid Solutions

Mustapha Nechiche et al.

INORGANIC CHEMISTRY (2017)

Article Materials Science, Multidisciplinary

A computational high-throughput search for new ternary superalloys

Chandramouli Nyshadham et al.

ACTA MATERIALIA (2017)

Review Nanoscience & Nanotechnology

Computational predictions of energy materials using density functional theory

Anubhav Jain et al.

NATURE REVIEWS MATERIALS (2016)

Article Multidisciplinary Sciences

The thermodynamic scale of inorganic crystalline metastability

Wenhao Sun et al.

SCIENCE ADVANCES (2016)

Article Materials Science, Multidisciplinary

Computational discovery of stable M2AX phases

Michael Ashton et al.

PHYSICAL REVIEW B (2016)

Article Materials Science, Multidisciplinary

High-throughput combinatorial study of the effect of M site alloying on the solid solution behavior of M2AlC MAX phases

Anjana Talapatra et al.

PHYSICAL REVIEW B (2016)

Article Chemistry, Multidisciplinary

Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)

Babak Anasori et al.

ACS NANO (2015)

Article Physics, Applied

Experimental and theoretical characterization of ordered MAX phases Mo2TiAlC2 and Mo2Ti2AlC3

Babak Anasori et al.

JOURNAL OF APPLIED PHYSICS (2015)

Article Chemistry, Multidisciplinary

Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds

Romain Gautier et al.

NATURE CHEMISTRY (2015)

Article Chemistry, Physical

Order and disorder in quaternary atomic laminates from first-principles calculations

Martin Dahlqvist et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Nanoscience & Nanotechnology

Synthesis of two-dimensional molybdenum carbide, Mo2C, from the gallium based atomic laminate MO2Ga2C

Rahele Meshkian et al.

SCRIPTA MATERIALIA (2015)

Article Materials Science, Multidisciplinary

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

Scott Kirklin et al.

npj Computational Materials (2015)

Article Materials Science, Multidisciplinary

Ordering of (Cr,V) Layers in Nanolamellar (Cr0.5V0.5)n+1AlCn Compounds

El'ad N. Caspi et al.

MATERIALS RESEARCH LETTERS (2015)

Article Materials Science, Multidisciplinary

Crystal structure and formation mechanism of (Cr2/3Ti1/3)3A1C2 MAX phase

Zhimou Liu et al.

ACTA MATERIALIA (2014)

Article Materials Science, Multidisciplinary

Thermodynamic stability of Mg-based ternary long-period stacking ordered structures

James E. Saal et al.

ACTA MATERIALIA (2014)

Article Materials Science, Multidisciplinary

Synthesis and characterization of arc deposited magnetic (Cr,Mn)2AlC MAX phase films

Aurelija Mockute et al.

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS (2014)

Article Materials Science, Multidisciplinary

High-throughput screening of perovskite alloys for piezoelectric performance and thermodynamic stability

R. Armiento et al.

PHYSICAL REVIEW B (2014)

Article Materials Science, Multidisciplinary

A Nanolaminated Magnetic Phase: Mn2GaC

A. S. Ingason et al.

MATERIALS RESEARCH LETTERS (2014)

Article Chemistry, Multidisciplinary

Analytic Projection From Plane-Wave and PAW Wavefunctions and Application to Chemical-Bonding Analysis in Solids

Stefan Maintz et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)

Article Materials Science, Ceramics

Tailoring of the thermal expansion of Cr2(Alx,Ge1-x)C phases

Thierry Cabioch et al.

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2013)

Article Materials Science, Multidisciplinary

Synthesis and ab initio calculations of nanolaminated (Cr,Mn)2AlC compounds

Aurelija Mockute et al.

PHYSICAL REVIEW B (2013)

Article Physics, Multidisciplinary

Magnetic Self-Organized Atomic Laminate from First Principles and Thin Film Synthesis

A. S. Ingason et al.

PHYSICAL REVIEW LETTERS (2013)

Article Chemistry, Multidisciplinary

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2

Michael Naguib et al.

ADVANCED MATERIALS (2011)

Article Chemistry, Multidisciplinary

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data

Koichi Momma et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2011)

Article Chemistry, Physical

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

Volker L. Deringer et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Materials Science, Multidisciplinary

Stability trends of MAX phases from first principles

M. Dahlqvist et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Theory of the ferromagnetism in Ti1-xCrxN solid solutions

B. Alling

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Phase stability of Ti2AlC upon oxygen incorporation: A first-principles investigation

Martin Dahlqvist et al.

PHYSICAL REVIEW B (2010)

Article Physics, Applied

Combinatorial investigation of (Ti1-xNbx)2AlC

T. H. Scabarozi et al.

APPLIED PHYSICS LETTERS (2009)

Article Materials Science, Ceramics

New MAX-Phase compounds in the v-cr-al-c system

Yanchun Zhou et al.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2008)

Article Materials Science, Multidisciplinary

Systematic study on the pressure dependence of M2AlC phases (M=Ti,V,Cr,Zr,Nb,Mo,Hf,Ta,W)

J. Emmerlich et al.

PHYSICAL REVIEW B (2007)

Article Physics, Applied

Synthesis and compressibility of Ti3(Al,Sn0.2)C2 and Ti3Al(C0.5,N0.5)2

Bouchaib Manoun et al.

JOURNAL OF APPLIED PHYSICS (2007)