Influence of Oxygen Vacancies on the Electronic and Optical Properties of Zirconium Dioxide from First-Principles Calculations

First-Principles Study of Perovskite Molybdates AMoO3 (A = Ca, Sr, Ba)

(2019) Somia et al.   JOURNAL OF ELECTRONIC MATERIALS

Hydroxyl Group Adsorption on GaN (0001) Surface: First Principles and XPS Studies

(2019) Hengshan Wang et al.   JOURNAL OF ELECTRONIC MATERIALS

First-Principles Investigation of Structural, Electronic, Optical, and Magnetic Properties of Ternary Mixed Compound CsTexS1−x

(2019) A. K. Kushwaha et al.   JOURNAL OF ELECTRONIC MATERIALS

Point defect of titanium sesquioxide Ti2O3 as the application of next generation Li-ion batteries

(2019) Y. Pan et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Influence of Ir concentration on the structure, elastic modulus and elastic anisotropy of Nb Ir based compounds from first-principles calculations

(2019) Yong Pan et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Structure, mechanical, electronic and thermodynamic properties of Mo 5 Si 3 from first-principles calculations

(2018) Yong Pan et al.   CERAMICS INTERNATIONAL

First-principles investigation of new structure, mechanical and electronic properties of Mo-based silicides

(2018) Yong Pan et al.   CERAMICS INTERNATIONAL

Microstructure and mechanical properties of Al 2 O 3 -ZrO 2 ceramic deposited by laser direct material deposition

(2018) Fazhi Li et al.   CERAMICS INTERNATIONAL

Influence of doping concentration on mechanical properties of Mo 2 FeB 2 alloyed with Cr and Ni from first-principle calculations

(2018) Shuanglun Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Prediction of New Phase and Electrochemical Properties of Li2S2 for the Application of Li-S Batteries

(2018) Y. Pan et al.   INORGANIC CHEMISTRY

A survey of Finnish energy engineering students' knowledge and perception of hydrogen technology

(2018) Kari Alanne   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Role of S-S interlayer spacing on the hydrogen storage mechanism of MoS 2

(2018) Yong Pan   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Effect of nano-sized ZrO 2 on high temperature performance of Mo-ZrO 2 alloy

(2018) Chaopeng Cui et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Electrosprayed Cerium Oxide Nanoparticles

(2018) Pedram Bagherzadeh Azar et al.   JOURNAL OF ELECTRONIC MATERIALS

First-Principles Study of Substitution of Au for Ni in Ni3Sn4

(2018) Yali Tian et al.   JOURNAL OF ELECTRONIC MATERIALS

Synthesis and Characterization of Bi0.85−xCa0.15ZrxO1.5−δ Oxygen Ion Conductors

(2018) I-Ming Hung et al.   JOURNAL OF ELECTRONIC MATERIALS

Electronic Properties of Armchair MoS2 Nanoribbons with Stacking Faults: First-Principles Calculations

(2018) Weiwei Xu et al.   JOURNAL OF ELECTRONIC MATERIALS

Insight into the electronic and mechanical properties of novel TMCrSi ternary silicides from first-principles calculations

(2018) Y. Pan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Pressures Tuning the Band Gap of Organic–Inorganic Trihalide Perovskites (MAPbBr3): A First-Principles Study

(2018) Mengping Tan et al.   JOURNAL OF ELECTRONIC MATERIALS

Investigations of the Electronic and Magnetic Structures of Zr2NiZ (Z = Ga, In, B) Heusler Compounds: First Principles Study

(2018) Moaid K. Hussain et al.   JOURNAL OF ELECTRONIC MATERIALS

Studies of the electronic excitation modifications induced by SHI of Au ions in RF sputtered ZrO2 thin films

(2018) Vishnu Chauhan et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

The influence of vacancy on the mechanical properties of IrAl coating: First-principles calculations

(2018) Y. Pan et al.   THIN SOLID FILMS

ZrO2 nanoparticles: An industrially viable, efficient and recyclable catalyst for synthesis of pharmaceutically significant xanthene derivatives

(2018) Pratibha Bansal et al.   VACUUM

Noble metals enhanced catalytic activity of anatase TiO2 for hydrogen evolution reaction

(2018) Y. Pan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

First Principles Study of Structural Stability, Elastic Properties, and Electronic Structures of Y-Doped Mg2Si

(2018) Wenxin Wang et al.   JOURNAL OF ELECTRONIC MATERIALS

Using First-Principles Calculations in CALPHAD Models to Determine Carrier Concentration of the Binary PbSe Semiconductor

(2018) Matthew C. Peters et al.   JOURNAL OF ELECTRONIC MATERIALS

First-principles investigation of the new phases and electrochemical properties of MoSi2 as the electrode materials of lithium ion battery

(2018) Y. Pan   JOURNAL OF ALLOYS AND COMPOUNDS

Microstructure, phase structure, and electrical properties of nitrided 3 mol% Y2O3 stabilized ZrO2 (3YSZ)

(2018) Yangcheng Mo et al.   CERAMICS INTERNATIONAL

Studies on structural and optical properties of ZrO 2 nanopowder for opto-electronic applications

(2017) B. Sathyaseelan et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Thermoelectric Properties Prediction of n-Type Mg2Si1−x Sn x Compounds by First Principles Calculation

(2017) Xin Li et al.   JOURNAL OF ELECTRONIC MATERIALS

First-Principles Study of Electronic Structure, Mechanical, and Thermoelectric Properties of Ternary Palladates CdPd3O4 and TlPd3O4

(2017) Amin Khan et al.   JOURNAL OF ELECTRONIC MATERIALS

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

(2017) Yong Pan   MATERIALS RESEARCH BULLETIN

Atomic and electronic structure of oxygen polyvacancies in ZrO 2

(2017) T.V. Perevalov et al.   MICROELECTRONIC ENGINEERING

Structural, mechanical and thermodynamic properties of ZrO 2 polymorphs by first-principles calculation

(2017) Zuozhong Liang et al.   PHYSICA B-CONDENSED MATTER

Probing the balance between ductility and strength: transition metal silicides

(2017) Y. Pan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Vacancy-induced mechanical and thermodynamic properties of B2-RuAl

(2017) Yong Pan et al.   VACUUM

Effect of sulfur concentration on structural, elastic and electronic properties of molybdenum sulfides from first-principles

(2016) Yong Pan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Prediction of new stable structure, promising electronic and thermodynamic properties of MoS 3 : Ab initio calculations

(2016) Yong Pan et al.   JOURNAL OF POWER SOURCES

Cold sintering process for ZrO2-based ceramics: significantly enhanced densification evolution in yttria-doped ZrO2

(2016) Hanzheng Guo et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Defect-Rich Dopant-Free ZrO2 Nanostructures with Superior Dilute Ferromagnetic Semiconductor Properties

(2016) Md Anisur Rahman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural, optical and dielectric properties of ZrO2 reinforced polymeric nanocomposite films of polymethylmethacrylate (PMMA)

(2016) P. Maji et al.   OPTIK

Oxygen vacancy stabilized zirconia (OVSZ); a joint experimental and theoretical study

(2016) Mohsin Raza et al.   SCRIPTA MATERIALIA

Fabrication and mechanical properties of lightweight ZrO2 ceramic corrugated core sandwich panels

(2014) Kai Wei et al.   MATERIALS & DESIGN

One-Step Synthesis and Optical Properties of Benzoate- and Biphenolate-Capped ZrO2Nanoparticles

(2012) Xue Bai et al.   ADVANCED FUNCTIONAL MATERIALS

Role of water on the stability of oxygen vacancies in ZrO2: An ab initio based study

(2012) B. Malki et al.   JOURNAL OF NUCLEAR MATERIALS

Camphene-based freeze-cast ZrO2 foam with high compressive strength

(2009) Changqing Hong et al.   MATERIALS CHEMISTRY AND PHYSICS

Ion beam-induced amorphous-to-tetragonal phase transformation and grain growth of nanocrystalline zirconia

(2009) Jie Lian et al.   NANOTECHNOLOGY

Ab initioprediction of ordered ground-state structures inZrO2-Y2O3

(2008) A. Predith et al.   PHYSICAL REVIEW B