Martin Dahlqvist

Education

Linköpings universitet
Sweden

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PhD in Materials Science

Lunds Universitet Naturvetenskapliga fakulteten
Sweden

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M.Sc. in Chemistry

Publications

MAX phases – Past, present, and future

Published by

Materials Today

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MAX phases - Past, present, and future

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Materials Today

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Atomic Scale Design of MXenes and Their Parent Materials─From Theoretical and Experimental Perspectives

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Chemical Reviews

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Atomic Scale Design of MXenes and Their Parent Materials-From Theoretical and Experimental Perspectives

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Chemical Reviews

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Room temperature ferromagnetism in the nanolaminated MAX phase (Mn1−xCrx)2GaC

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APL Materials

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Room temperature ferromagnetism in the nanolaminated MAX phase (Mn<sub>1-<i>x</i></sub>Cr<sub><i>x</i></sub>)<sub>2</sub>GaC

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APL Materials

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M5X4: A Family of MXenes

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ACS Nano

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Synthesis, Characterization, and Modeling of a Chemically Ordered Quaternary Boride, Mo4MnSiB2

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Crystal Growth & Design

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Experimental and Theoretical Investigations of Out-of-Plane Ordered Nanolaminate Transition Metal Borides: M4CrSiB2 (M = Mo, W, Nb)

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Inorganic Chemistry

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Yttrium incorporation in Cr2AlC: On the metastable phase formation and decomposition of (Cr,Y)2AlC MAX phase thin films

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Journal of the American Ceramic Society

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Finding stable multi-component materials by combining cluster expansion and crystal structure predictions

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npj Computational Materials

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Impact of vacancies on structure, stability and properties of hexagonal transition metal diborides, MB2 (M = Sc, Y, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W, Mn, and Fe)

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Materialia

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On the nature of planar defects in transition metal diboride line compounds

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Materialia

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Finding stable multi-component materials by combining cluster expansion with crystal structure predictions

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preprint

Investigation of out-of-plane ordered Ti4MoSiB2 from first principles

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Journal of Physics: Condensed Matter

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Correlation strength, orbital-selective incoherence, and local moments formation in the magnetic MAX-phase Mn2GaC

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Physical Review B

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Chemical order or disorder – a theoretical stability expose for expanding the compositional space of quaternary metal borides

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Materials Advances

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

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Nanoscale

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Theoretical predictions of phase stability for orthorhombic and hexagonal ternary MAB phases

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Physical Chemistry Chemical Physics

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Phase Stability of Nanolaminated Epitaxial (Cr1–xFex)2AlC MAX Phase Thin Films on MgO(111) and Al2O3(0001) for Use as Conductive Coatings

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ACS Applied Nano Materials

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Out‐Of‐Plane Ordered Laminate Borides and Their 2D Ti‐Based Derivative from Chemical Exfoliation

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Advanced Materials

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Boridene: Two-dimensional Mo 4/3 B 2-x with ordered metal vacancies obtained by chemical exfoliation

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Science

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In-plane ordered quaternary M4/3′M2/3″AlB2 phases (i-MAB): electronic structure and mechanical properties from first-principles calculations

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Journal of Physics: Condensed Matter

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Synthesis, characterization and first principle modelling of the MAB phase solid solutions: (Mn1-xCrx)2AlB2 and (Mn1-xCrx)3AlB4

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Materials Research Letters

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Where is the unpaired transition metal in substoichiometric diboride line compounds?

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Acta Materialia

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Predictions of attainable compositions of layered quaternary i-MAB phases and solid solution MAB phases

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Nanoscale

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Single Crystal Growth and Structural Characterization of Theoretically Predicted Nanolaminates M2Al2C3, Where M = Sc and Er

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Crystal Growth & Design

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Impact of strain, pressure, and electron correlation on magnetism and crystal structure of Mn2GaC from first-principles

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Scientific Reports

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

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Journal of the American Chemical Society

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Compatibility of Zr2AlC MAX phase-based ceramics with oxygen-poor, static liquid lead–bismuth eutectic

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Corrosion Science

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

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Journal of the European Ceramic Society

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Possible monoclinic distortion of Mo2GaC under high pressure

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Journal of Applied Physics

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Theoretical Prediction and Experimental Verification of the Chemically Ordered Atomic-Laminate i-MAX Phases (Cr2/3Sc1/3)2GaC and (Mn2/3Sc1/3)2GaC

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Crystal Growth & Design

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Chemically stable new MAX phase V2SnC: a damage and radiation tolerant TBC material

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RSC Advances

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Predictive theoretical screening of phase stability for chemical order and disorder in quaternary 312 and 413 MAX phases

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Nanoscale

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Materials synthesis, neutron powder diffraction, and first-principles calculations of (MoxSc1−x)2AlC i−MAX phase used as parent material for MXene derivation

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Physical Review Materials

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Transmorphic epitaxial growth of AlN nucleation layers on SiC substrates for high-breakdown thin GaN transistors

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Applied Physics Letters

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

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ACS Applied Nano Materials

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

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ACS Applied Nano Materials

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

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Chemistry of Materials

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A Tungsten-Based Nanolaminated Ternary Carbide: (W,Ti)4C4–x

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Inorganic Chemistry

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Origin of Chemically Ordered Atomic Laminates (i-MAX): Expanding the Elemental Space by a Theoretical/Experimental Approach

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ACS Nano

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Electronic structure, bonding characteristics, and mechanical properties in (W2/3Sc1/3)2AlC and (W2/3Y1/3)2AlC i-MAX phases from first-principles calculations

Published by

Journal of Physics: Condensed Matter

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Theoretical Prediction and Synthesis of (Cr2/3Zr1/3)2AlC i-MAX Phase

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Inorganic Chemistry

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

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Advanced Materials

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Synthesis of Ti3AuC2, Ti3Au2C2 and Ti3IrC2 by noble metal substitution reaction in Ti3SiC2 for high-temperature-stable Ohmic contacts to SiC

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Nature Materials

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Prediction and synthesis of a family of atomic laminate phases with Kagomé-like and in-plane chemical ordering

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Science Advances

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Two-dimensional Mo1.33C MXene with divacancy ordering prepared from parent 3D laminate with in-plane chemical ordering

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Nature Communications

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Dataset on the structure and thermodynamic and dynamic stability of Mo 2 ScAlC 2 from experiments and first-principles calculations

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Data in Brief

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Theoretical stability and materials synthesis of a chemically ordered MAX phase, Mo2ScAlC2, and its two-dimensional derivate Mo2ScC2 MXene

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Acta Materialia

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Ti2Au2C and Ti3Au2C2 formed by solid state reaction of gold with Ti2AlC and Ti3AlC2

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Chemical Communications

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Ti2Au2C and Ti3Au2C2 formed by solid state reaction of gold with Ti2AlC and Ti3AlC2

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Chemical Communications

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Magnetic MAX phases from theory and experiments; a review

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Journal of Physics: Condensed Matter

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Long-range antiferromagnetic order in epitaxialMn2GaCthin films from neutron reflectometry

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Physical Review B

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Benefits of oxygen incorporation in atomic laminates

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Journal of Physics: Condensed Matter

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Magnetic exchange interactions and critical temperature of the nanolaminateMn2GaCfrom first-principles supercell methods

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Physical Review B

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Magnetically driven anisotropic structural changes in the atomic laminateMn2GaC

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Physical Review B

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Phase stability of the nanolaminates V2Ga2C and (Mo1−xVx)2Ga2C from first-principles calculations

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Physical Chemistry Chemical Physics

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A critical evaluation of GGA+U modeling for atomic, electronic and magnetic structure of Cr2AlC, Cr2GaC and Cr2GeC.

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Journal of physics. Condensed matter : an Institute of Physics journal

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Experimental and theoretical characterization of ordered MAX phases Mo<inf>2</inf>TiAlC<inf>2</inf> and Mo<inf>2</inf>Ti<inf>2</inf>AlC<inf>3</inf>

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Journal of Applied Physics

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Influence of boron vacancies on phase stability, bonding and structure of MB 2 (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W) with AlB2 type structure

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Journal of Physics Condensed Matter

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

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Physical Chemistry Chemical Physics

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Structural and chemical determination of the new nanolaminated carbide Mo<inf>2</inf>Ga<inf>2</inf>C from first principles and materials analysis

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Acta Materialia

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Theoretical stability, thin film synthesis and transport properties of the Mon +1GaCn MAX phase

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Physica Status Solidi - Rapid Research Letters

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A Nanolaminated Magnetic Phase: Mn2GaC

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Materials Research Letters

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Effect of Ti-Al cathode composition on plasma generation and plasma transport in direct current vacuum arc

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Journal of Applied Physics

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Effect of Ti-Al cathode composition on plasma generation and plasma transport in direct current vacuum arc

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Journal of Applied Physics

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First-principles calculations of the electronic, vibrational, and elastic properties of the magnetic laminate Mn2GaC

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Journal of Applied Physics

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First-principles calculations of the electronic, vibrational, and elastic properties of the magnetic laminate Mn2GaC

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Journal of Applied Physics

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Temperature dependent phase stability of nanolaminated ternaries from first-principles calculations

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Computational Materials Science

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

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Physical Review Letters

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

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Physical Review Letters

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Characterization of plasma chemistry and ion energy in cathodic arc plasma from Ti-Si cathodes of different compositions

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Journal of Applied Physics

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Characterization of plasma chemistry and ion energy in cathodic arc plasma from Ti-Si cathodes of different compositions

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Journal of Applied Physics

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Correlation between magnetic state and bulk modulus of Cr2AlC

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Journal of Applied Physics

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Correlation between magnetic state and bulk modulus of Cr2AlC

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Journal of Applied Physics

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Oxygen incorporation in Ti2AlC thin films studied by electron energy loss spectroscopy and ab initio calculations

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Journal of Materials Science

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Phase stability of Crn+1GaCn MAX phases from first principles and Cr2GaC thin-film synthesis using magnetron sputtering from elemental targets

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Physica Status Solidi-Rapid Research Letters

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Phase stability of Crn+ 1GaCn MAX phases from first principles and Cr2GaC thin-film synthesis using magnetron sputtering from elemental targets

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Physica Status Solidi - Rapid Research Letters

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

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Physical Review B

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

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Physical Review B - Condensed Matter and Materials Physics

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Discovery of the Ternary Nanolaminated Compound Nb2GeC by a Systematic Theoretical-Experimental Approach

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Physical Review Letters

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Magnetic nanoscale laminates with tunable exchange coupling from first principles

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Physical Review B

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Oxygen incorporation in Ti2AlC: Tuning of anisotropic conductivity

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Applied Physics Letters

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

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Physical Review B

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Phase stability of Ti2 AlC upon oxygen incorporation: A first-principles investigation

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Physical Review B - Condensed Matter and Materials Physics

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Stability trends of MAX phases from first principles

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Physical Review B

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Dynamics of Polymer Adsorption from Bulk Solution onto Planar Surfaces

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Macromolecules

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