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Ab initio study of hypothetical Ti3AlB2 and two new designed layered ordered double‐transition metals MAX compound Ti2ZrAlB2

https://doi.org/10.1002/qua.26994
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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/adma.201102306openalex-snapshot
Two‐Dimensional Nanocrystals Produced by Exfoliation of Ti 3 AlC 2
inferredcites →https://doi.org/10.1002/adma.201470041openalex-snapshot
Two‐Dimensional Materials: 25th Anniversary Article: MXenes: A New Family of Two‐Dimensional Materials (Adv. Mater. 7/2014)
inferredcites →https://doi.org/10.1007/bf02647559openalex-snapshot
Summary of constitutional data on the Aluminum-Carbon-Titanium system
inferredcites →https://doi.org/10.1007/s10853-012-6609-6openalex-snapshot
Role of correlation and relativistic effects in MAX phases
inferredcites →https://doi.org/10.1016/0079-6786(71)90016-1openalex-snapshot
Strukturchemie einiger Verbindungen der Übergangsmetalle mit den elementen C, Si, Ge, Sn
inferredcites →https://doi.org/10.1016/j.actamat.2007.12.003openalex-snapshot
Phase stability, electronic structure and mechanical properties of ternary-layered carbide Nb4AlC3: An ab initio study
inferredcites →https://doi.org/10.1016/j.actamat.2014.04.006openalex-snapshot
Crystal structure and formation mechanism of (Cr2/3Ti1/3)3AlC2 MAX phase
inferredcites →https://doi.org/10.1016/j.chemphys.2021.111321openalex-snapshot
Nb-based double transition metal silicides MAX-phase: A first-principle study
inferredcites →https://doi.org/10.1016/j.elecom.2012.01.002openalex-snapshot
MXene: a promising transition metal carbide anode for lithium-ion batteries
inferredcites →https://doi.org/10.1016/j.jallcom.2020.156098openalex-snapshot
Structural, elastic, electronic and hardness properties of osmium diboride predicted from first principles calculations
inferredcites →https://doi.org/10.1016/j.jmrt.2019.09.046openalex-snapshot
First principle study on electronic, thermophysical and optical properties of ScAl3C3 and UAl3C3 under high pressure
inferredcites →https://doi.org/10.1016/j.scriptamat.2015.07.021openalex-snapshot
First principles phonon calculations in materials science
inferredcites →https://doi.org/10.1016/j.tsf.2009.07.184openalex-snapshot
The M+1AX phases: Materials science and thin-film processing
inferredcites →https://doi.org/10.1016/j.wear.2011.01.043openalex-snapshot
On the tribology of the MAX phases and their composites during dry sliding: A review
inferredcites →https://doi.org/10.1016/s0022-3697(98)00313-8openalex-snapshot
Thermal properties of Ti3SiC2
inferredcites →https://doi.org/10.1016/s0925-8388(02)00756-9openalex-snapshot
Synthesis and mechanical properties of Nb2AlC and (Ti,Nb)2AlC
inferredcites →https://doi.org/10.1021/acsnano.5b03591openalex-snapshot
Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)
inferredcites →https://doi.org/10.1038/ncomms14949openalex-snapshot
Two-dimensional Mo1.33C MXene with divacancy ordering prepared from parent 3D laminate with in-plane chemical ordering
inferredcites →https://doi.org/10.1039/b101520fopenalex-snapshot
Electronic and structural properties of the layered ternary carbide Ti3AlC2
inferredcites →https://doi.org/10.1039/c9nr08675gopenalex-snapshot
Predictive theoretical screening of phase stability for chemical order and disorder in quaternary 312 and 413 MAX phases
inferredcites →https://doi.org/10.1039/d1cp05750bopenalex-snapshot
Theoretical predictions of phase stability for orthorhombic and hexagonal ternary MAB phases
inferredcites →https://doi.org/10.1063/1.4929640openalex-snapshot
Experimental and theoretical characterization of ordered MAX phases Mo2TiAlC2 and Mo2Ti2AlC3
inferredcites →https://doi.org/10.1080/10408436.2017.1370577openalex-snapshot
Density Functional Theory Study of Mn+1AXnPhases: A Review
inferredcites →https://doi.org/10.1080/14786440808520496openalex-snapshot
XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
inferredcites →https://doi.org/10.1088/0370-1298/65/5/307openalex-snapshot
The Elastic Behaviour of a Crystalline Aggregate
inferredcites →https://doi.org/10.1088/0953-8984/26/50/505503openalex-snapshot
Trends in electronic structures and structural properties of MAX phases: a first-principles study on M 2 AlC (M = Sc, Ti, Cr, Zr, Nb, Mo, Hf, or Ta), M 2 AlN, and hypothetical M 2 AlB phases
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.69.144108openalex-snapshot
Polymorphism of Ti3SiC2 ceramic: First-principles investigations
inferredcites →https://doi.org/10.1103/physrevb.73.235116openalex-snapshot
More accurate generalized gradient approximation for solids
inferredcites →https://doi.org/10.1103/physrevb.76.054115openalex-snapshot
Crystal structures and elastic properties of superhard Ir N 2 and Ir N 3 from first principles
inferredcites →https://doi.org/10.1103/physrevb.78.134106openalex-snapshot
First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures
inferredcites →https://doi.org/10.1103/physrevb.81.174301openalex-snapshot
First-principles phonon calculations of thermal expansion in Ti 3 SiC 2 , Ti 3 AlC 2 , and Ti 3 GeC 2
inferredcites →https://doi.org/10.1103/physrevb.86.214301openalex-snapshot
Neutron diffraction measurements and first-principles study of thermal motion of atoms in select Mn+1AXn and binary MX transition-metal carbide phases
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1111/j.1151-2916.1996.tb08018.xopenalex-snapshot
Synthesis and Characterization of a Remarkable Ceramic: Ti 3 SiC 2
inferredcites →https://doi.org/10.1111/j.1151-2916.2000.tb01281.xopenalex-snapshot
Synthesis and Characterization of Ti 3 AlC 2
inferredcites →https://doi.org/10.1111/j.1551-2916.2008.02279.xopenalex-snapshot
New MAX‐Phase Compounds in the V–Cr–Al–C System
inferredcites →https://doi.org/10.1111/j.1551-2916.2010.04056.xopenalex-snapshot
(Ti 0.5 Nb 0.5 ) 5 AlC 4 : A New‐Layered Compound Belonging to MAX Phases
inferredcites →https://doi.org/10.1111/j.1551-2916.2011.04609.xopenalex-snapshot
Temperature‐Dependent Crystal Structures of Ti 2 AlN and Cr 2 GeC as Determined from High Temperature Neutron Diffraction
inferredcites →https://doi.org/10.1111/jace.12731openalex-snapshot
( Cr 2/3 Ti 1/3 ) 3 AlC 2 and ( Cr 5/8 Ti 3/8 ) 4 AlC 3 : New MAX ‐phase Compounds in Ti – Cr – Al – C System
inferredcites →https://doi.org/10.1126/sciadv.1700642openalex-snapshot
Prediction and synthesis of a family of atomic laminate phases with Kagomé-like and in-plane chemical ordering
inferredcites →https://doi.org/10.1140/epjb/e2007-00115-6openalex-snapshot
Structural and elastic properties of Zr2AlX and Ti2AlX (X = C and N) under pressure effect
inferredcites →https://doi.org/10.1146/annurev-matsci-062910-100448openalex-snapshot
Elastic and Mechanical Properties of the MAX Phases
inferredcites →https://doi.org/10.1146/annurev.matsci.31.1.1openalex-snapshot
Synthesis and Design of Superhard Materials

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4672905openalex-extracted
Designing Boron Carbide-Based Max Phases as Precursors of Mxenes for Energy Storage Applications
inferred← citeshttps://doi.org/10.1002/qua.27377openalex-snapshot
The g‐ZnO / Hf2CO2 vdW heterostructure: A novel two‐dimensional material for sunlight‐driven photocatalytic water splitting
inferred← citeshttps://doi.org/10.1016/j.molstruc.2024.137991openalex-snapshot
First principles study on electronic, optical and catalytic properties of designed Zr-doped structures based on Hf2CO2
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c06428openalex-snapshot
Construction of Direct Z-Scheme WSe 2 /HfZrCO 2 Heterostructure and First-Principles Investigation on Its Photocatalytic Properties for Water Splitting
inferred← citeshttps://doi.org/10.1038/s41598-024-65980-8openalex-snapshot
Study on the Infrared and Raman spectra of Ti3AlB2, Zr3AlB2, Hf3AlB2, and Ta3AlB2 by first-principles calculations
inferred← citeshttps://doi.org/10.1142/s1793292024501510openalex-snapshot
Designing of g-ZnO/HfZrCO2 vdW Heterostructure for Sunlight-Driven Water Splitting Photocatalyst
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