Structural, electronic, mechanical and thermodynamic properties of Cr–Si binary silicides from first-principles investigations

Exploring the novel structure, transportable capacity and thermodynamic properties of TiH 2 hydrogen storage material

(2020) Yong Pan et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

First-principles investigation of phonon dynamics and electrochemical performance of TiO2-x oxides lithium-ion batteries

(2020) Yong Pan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Synthesis WSi2 coating on W substrate by HDS method with various deposition times

(2020) Yingyi Zhang et al.   APPLIED SURFACE SCIENCE

The hydrogenation mechanism of PtAl and IrAl thermal barrier coatings from first-principles investigations

(2020) Y. Pan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Enhanced thermoelectric properties of pristine CrSi2 synthesized using a facile single-step spark plasma assisted reaction sintering

(2020) Naval Kishor Upadhyay et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Investigation of morphology and texture properties of WSi2 coatings on W substrate based on contact-mode AFM and EBSD

(2020) Yingyi Zhang et al.   SURFACE & COATINGS TECHNOLOGY

Influence of Mo concentration on the structure, mechanical and thermodynamic properties of Mo–Al compounds from first-principles calculations

(2020) Yong Pan et al.   VACUUM

Influence of vacancy on the elastic properties, ductility and electronic properties of hexagonal C40 MoSi2 from first-principles calculations

(2020) Yong Pan et al.   VACUUM

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

(2020) Yong Pan et al.   VACUUM

Theoretical study on novel orthorhombic ternary monocarbides M0.5Re0.5C (M=V, Nb, Ta) from first-principles calculations

(2020) Lei Chen et al.   CERAMICS INTERNATIONAL

Influence of alloying elements on the structural stability, elastic, hardness and thermodynamic properties of Mo5SiB2 from first-principles calculations

(2020) Yong Pan et al.   CERAMICS INTERNATIONAL

Exploring the real ground-state structures of W3Si silicides from first-principles calculations

(2020) Chunying Pu et al.   COMPUTATIONAL MATERIALS SCIENCE

Abnormal temperature effect on tensile strength of Mg-13Gd-2Y-0.5Zr alloy

(2020) Xiaoya Chen et al.   VACUUM

Structural Stability and Electronic and Optical Properties of Bulk WS2 from First-Principles Investigations

(2020) Shuang Chen et al.   JOURNAL OF ELECTRONIC MATERIALS

Origin of the antioxidation mechanism of RuAl(1 1 0) surface from first-principles calculations

(2020) Y. Pan et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

The structural stability and optical properties of NiPt nanomaterial from first-principles investigations

(2020) Yong Pan   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Understanding the influences of Mg doping on the physical properties of SrMoO3 perovskite

(2020) Khandaker Monower Hossain et al.   Results in Physics

Effect of CrSi/CrSi2 content on the microstructure and properties of vacuum hot-pressed Cr-50 wt% Si alloys

(2019) Shih-Hsien Chang et al.   VACUUM

Exploring the novel structure, elastic and thermodynamic properties of W3Si silicides from first-principles calculations

(2019) Y. Pan et al.   CERAMICS INTERNATIONAL

Theoretical study of structural, electronic, phonon and thermoelectric properties of KScX (X=Sn and Pb) and KYX (X=Si and Ge) half-Heusler compounds with 8 valence electrons count

(2019) Deepika Shrivastava et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Vacancy-enhanced cycle life and electrochemical performance of lithium-rich layered oxide Li2RuO3

(2019) Y. Pan   CERAMICS INTERNATIONAL

Influence of vacancies on the mechanical and thermodynamic properties of TM2B3(TM=Ru and Os) borides from first-principles calculations

(2019) Y. Pan et al.   CERAMICS INTERNATIONAL

Theoretical discovery of high capacity hydrogen storage metal tetrahydrides

(2019) Yong Pan   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

The structural, mechanical, and thermodynamic properties of B2‐type TMZr (TM = Ru, Mo, Rh, Os, and Re) compounds from first‐principles calculations

(2019) Yong Pan et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Theoretical investigation of electron-phonon interaction in the orthorhombic phase of Mo2C

(2019) E. Karaca et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Hydrogen embrittlement of C40 transition-metal disilicides

(2019) Yong Pan et al.   JOURNAL OF MATERIALS RESEARCH

Microstructure and high-temperature strength in Cr–Si binary alloys

(2019) Yuki Aono et al.   INTERMETALLICS

Effect of welding speed on microstructure and corrosion resistance of Al–Li alloy weld joint

(2019) Mei Yang et al.   MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION

The structure, mechanical and electronic properties of WSi2 from first-principles investigations

(2019) Y. Pan et al.   VACUUM

Effect of hot dip silicon-plating temperature on microstructure characteristics of silicide coating on tungsten substrate

(2019) Yingyi Zhang et al.   CERAMICS INTERNATIONAL

First-principles investigation of oxidation behavior of Mo5SiB2

(2019) Yong Pan et al.   CERAMICS INTERNATIONAL

Influence of Vacancy on the Mechanical, Electronic and Thermodynamic Properties of Mo5SiB2 from First-Principles Calculations

(2019) Yong Pan et al.   JOURNAL OF ELECTRONIC MATERIALS

Insight into the elastic anisotropy and thermodynamics properties of Tantalum borides

(2019) Dongzhi Li et al.   VACUUM

Theoretical prediction of new structure, mechanical properties, anisotropy in elasticity and thermodynamic properties of Mo3Ge material

(2019) Xudong Zhang et al.   VACUUM

Adjusting the correlation between the oxidation resistance and mechanical properties of Pt-based thermal barrier coating

(2019) Yong Pan et al.   VACUUM

A first principles investigation on the influence of transition-metal elements on the structural, mechanical, and anisotropic properties of CaM2Al20 intermetallics

(2019) Xudong Zhang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

First-principles study of the effect of Cr and Al on the oxidation resistance of WSi 2

(2018) Shuanglun Wang et al.   CHEMICAL PHYSICS LETTERS

From eutectic to peritectic: Effect of Ge on morphology, structure, and coarsening of Cr-Cr 3 Si alloys

(2018) Ali S. Dorcheh et al.   INTERMETALLICS

Effect of oxygen addition on microstructures and mechanical properties of Ti-7.5Mo alloy

(2018) Xin Ji et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Prediction of stable Cu-Li binary intermetallics from first-principles calculations: Stoichiometries, crystal structures, and physical properties

(2018) Jiahui Yu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

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

(2018) Yong Pan et al.   VACUUM

Insight into the oxidation mechanism of MoSi2: Ab-initio calculations

(2018) Yong Pan et al.   CERAMICS INTERNATIONAL

Insight into the oxidation mechanism of Nb3Si(111) surface: First-principles calculations

(2018) Yong Pan et al.   MATERIALS RESEARCH BULLETIN

Ab-initio calculations of mechanical and thermodynamic properties of TM (transition metal: 3d and 4d)-doped Pt3Al

(2018) Yong Pan et al.   VACUUM

Hybrid Laser-Arc Welding of X90 Pipeline Steel: Effect of Laser Power on Microstructure and Mechanical Properties

(2018) Mei Yang et al.   TRANSACTIONS OF THE INDIAN INSTITUTE OF METALS

Insight into the electronic and thermodynamic properties of NbSi2 from first-principles calculations

(2018) Shuanglun Wang et al.   RSC Advances

Adjustment of the microstructure and selected mechanical properties of biomedical Ti-15Zr-Mo alloys through oxygen doping

(2018) D.R.N. Correa et al.   JOURNAL OF ALLOYS AND COMPOUNDS

RuAl 2 : Structure, electronic and elastic properties from first-principles

(2017) Yong Pan   MATERIALS RESEARCH BULLETIN

Effect of Cr content on the microstructure and thermal properties of ZrSi 2 –CrSi 2 –SiC multiphase coating for the SiC coated C/C composites

(2016) Manhong Hu et al.   CERAMICS INTERNATIONAL

A modeling approach for new CrSi 2 based alloys: Application to metastable Cr 1-x Zr x Si 2 as a potential thermoelectric material

(2016) Mahmoud Khalil et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Valence Band Control of Metal Silicide Films via Stoichiometry

(2016) Frank Streller et al.   Journal of Physical Chemistry Letters

Phase transition and thermodynamic properties of YAg alloy from first-principles calculations

(2015) Chunying Pu et al.   COMPUTATIONAL MATERIALS SCIENCE

Some Statistics on Intermetallic Compounds

(2014) Julia Dshemuchadse et al.   INORGANIC CHEMISTRY

Structural, electrical, and thermoelectric properties of CrSi 2 thin films

(2013) Makram Abd El Qader et al.   THIN SOLID FILMS

Cr3Si doped by Co studied by muon spin relaxation and scanning electron microscopy techniques

(2010) P. Zaleski et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Elastic and thermodynamical properties of A15 Nb3X (X =  Al, Ga, In, Sn and Sb) compounds — First principles DFT study

(2010) M. Sundareswari et al.   SOLID STATE COMMUNICATIONS

On the melting of Cr5Si3 and update of the thermodynamic description of Cr–Si

(2008) Hailin Chen et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

An in-Situ Chloride-Generated Route to Various One-Dimensional Nanostructures of Chromium-Based Compounds

(2008) Leshu Yu et al.   Journal of Physical Chemistry C