Atomic level insights into the Ti2AlC oxidation mechanism by the combination of density functional theory and ab initio molecular dynamics calculations

Direct deposition of extremely low interface-contact-resistant Ti2AlC MAX-phase coating on stainless-steel by mid-frequency magnetron sputtering method

(2020) Nadeem Abbas et al.   JOURNAL OF THE EUROPEAN CERAMIC SOCIETY

Influence of transition metal on the mechanical and thermodynamic properties of IrAl thermal barrier coating

(2020) Yong Pan et al.   VACUUM

Enhancing adhesion of Al2O3 scale on Ti-Al intermetallics by alloying: A first principles study

(2020) Y. Li et al.   COMPUTATIONAL MATERIALS SCIENCE

First principles studies of oxygen adsorption on the γ-U (1 1 0) surface and influences of Mo doping

(2020) Xiaofeng Tian et al.   COMPUTATIONAL MATERIALS SCIENCE

Enhanced C atom adsorption on Cu(111) substrate by doping rare earth element Y for Cu–diamond composites: A first-principles study

(2020) Xingzhi Pang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

The effect of exposure conditions on performance evaluation of post-treated anodic oxides on an aerospace aluminium alloy: Comparison between salt spray and immersion testing

(2020) B.J. Usman et al.   SURFACE & COATINGS TECHNOLOGY

Mechanical and oxidation behavior of textured Ti2AlC and Ti3AlC2 MAX phase materials

(2020) Xiaoqiang Li et al.   JOURNAL OF THE EUROPEAN CERAMIC SOCIETY

Oxidation mechanism of MAX phases (Ti3AlC2 powders) with and without Sn doping

(2020) Chunyu Guo et al.   CORROSION SCIENCE

Element Replacement Approach by Reaction with Lewis Acidic Molten Salts to Synthesize Nanolaminated MAX Phases and MXenes

(2019) Mian Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Recent advances in MXenes: From fundamentals to applications

(2019) Mohammad Khazaei et al.   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

Oxidation behaviour of the MAX-phases Ti2AlC and (Ti, Nb)2AlC at elevated temperatures with and without fluorine treatment

(2019) Alexander Donchev et al.   JOURNAL OF THE EUROPEAN CERAMIC SOCIETY

A high oxidation resistance Ti2AlC coating on Zirlo substrates for loss-of-coolant accident conditions

(2019) Wentao Li et al.   CERAMICS INTERNATIONAL

Synthesis of Ti2AlC & Ti3AlC2 MAX phases by Arc-PVD using Ti–Al target in C2H2/Ar gas mixture and subsequent annealing

(2019) Zahra Mahmoudi et al.   CERAMICS INTERNATIONAL

Effect of cerium acetate and L-glutamic acid as hybrid electrolyte additives on the performance of Al–air battery

(2019) Q.X. Kang et al.   JOURNAL OF POWER SOURCES

Impact of V, Hf and Si on oxidation processes in Ti–Al–N: Insights from ab initio molecular dynamics

(2019) Fangyu Guo et al.   SURFACE & COATINGS TECHNOLOGY

First-principles study of adsorption and diffusion of oxygen on surfaces of TiN, ZrN and HfN

(2018) Fangyu Guo et al.   APPLIED SURFACE SCIENCE

Deposition, characterization and high-temperature steam oxidation behavior of single-phase Ti 2 AlC-coated Zircaloy-4

(2018) Chongchong Tang et al.   CORROSION SCIENCE

Preparation of TiC/Ti2 AlC coating on carbon fiber and investigation of the oxidation resistance properties

(2018) Mian Li et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Ab initio molecular dynamics of atomic-scale surface reactions: insights into metal organic chemical vapor deposition of AlN on graphene

(2018) D. G. Sangiovanni et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab-initio investigation of structure and mechanical properties of PtAlTM ternary alloy

(2018) Yong Pan et al.   VACUUM

Theoretical study of N-thiazolyl-2-cyanoacetamide derivatives as corrosion inhibitor for aluminum in alkaline environments

(2018) X.Y. Zhang et al.   Computational and Theoretical Chemistry

Experimental and theoretical investigation on calcium oxide and L-aspartic as an effective hybrid inhibitor for aluminum-air batteries

(2018) Q.X. Kang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Adsorption and migration behavior of molybdenum atom on graphite (0001) surface

(2018) Xingzhi Pang et al.   APPLIED SURFACE SCIENCE

Influence of alloying elements on stability and adhesion ability of TiAl/TiO 2 interface by first-principles calculations

(2017) J.H. Dai et al.   INTERMETALLICS

Toward understanding the anticorrosive mechanism of some thiourea derivatives for carbon steel corrosion: A combined DFT and molecular dynamics investigation

(2017) Lei Guo et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Recent progress in layered transition metal carbides and/or nitrides (MXenes) and their composites: synthesis and applications

(2017) Vincent Ming Hong Ng et al.   Journal of Materials Chemistry A

Adsorption of oxygen atom on MoSi 2 (110) surface

(2016) S.P. Sun et al.   APPLIED SURFACE SCIENCE

Ab initio molecular dynamics studies on effect of Zr on oxidation resistance of TiAlN coatings

(2016) Jingwu Pi et al.   APPLIED SURFACE SCIENCE

Studying the oxidation of Ti 2 AlC MAX phase in atmosphere: A review

(2016) Mohammad Haftani et al.   INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS

Recent progress and new directions in density functional theory based design of hard coatings

(2016) Denis Music et al.   SURFACE & COATINGS TECHNOLOGY

Ab initio study on the adsorption mechanism of oxygen on Cr 2 AlC (0 0 0 1) surface

(2014) Neng Li et al.   APPLIED SURFACE SCIENCE

Ab initio and classical molecular dynamics simulations of N2 desorption from TiN(001) surfaces

(2014) D.G. Sangiovanni et al.   SURFACE SCIENCE

Effect of Al substitution on Ti, Al, and N adatom dynamics on TiN(001), (011), and (111) surfaces

(2014) C. Tholander et al.   SURFACE SCIENCE

Nanostructured plasma etched, magnetron sputtered nanolaminar Cr2AlC MAX phase thin films

(2013) Rolf Grieseler et al.   APPLIED SURFACE SCIENCE

Dissociation and reconstruction of O2 on Al (111) studied by First-principles

(2012) J.X. Guo et al.   APPLIED SURFACE SCIENCE

Microstructural evolution during high-temperature oxidation of Ti2AlC ceramics

(2011) Bai Cui et al.   ACTA MATERIALIA

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

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Stable M2AlC(0001) surfaces (M = Ti, V and Cr) by first-principles investigation

(2008) Jiemin Wang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER