Related references
Note: Only part of the references are listed.First-principles investigation of oxidation mechanism of Al-doped Mo5Si3 silicide
Delin Pu et al.
CERAMICS INTERNATIONAL (2022)
The efficiency of M (M = Li, Na, or Cs) doped CdS nanomaterials in optoelectronic applications
Madeha A. Awad et al.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2022)
The comprehensive review for development of heat exchanger configuration design in metal hydride bed
Yehui Cui et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2022)
New insight into the structural, mechanical, electronic, and thermodynamic properties of the monoclinic TMAl3-type aluminides
Yong Pan
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2022)
First-principles investigation of solution mechanism of C in TM-Si-C matrix as the potential high-temperature ceramics
Delin Pu et al.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2022)
First-principles study on the elasticity and thermal properties of heavy Fermi compounds CePtSix (X=1,2,3)
Zhuangzhuang Kong et al.
PHYSICA B-CONDENSED MATTER (2022)
New insight into the structural stability, ductility and melting point of Mo5SiB2 under high-pressure environment
Delin Pu et al.
VACUUM (2022)
First-principles prediction of structure, mechanical and thermodynamic properties of BixGeyOz ternary bismuth crystals
Yizhe Liu et al.
VACUUM (2022)
Improved omnidirectional polarisation-insensitive optical absorption and photoelectrochemical water splitting using aperiodic and tapered slanted, kinked and straight silicon nanowires
Adhila T. K. et al.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2022)
First-principles prediction of structure and mechanical properties of TM5SiC2 ternary silicides
Delin Pu et al.
VACUUM (2022)
Influence of alloying elements on the mechanical and thermodynamic properties of ZrB2 boride
Y. Pan et al.
VACUUM (2022)
Enhancing catalytic properties of noble metal@MoS2/WS2 heterojunction for the hydrogen evolution reaction
Shuang Chen et al.
APPLIED SURFACE SCIENCE (2022)
First-principles investigation of structural stability, electronic and optical properties of suboxide (Zr3O)
Yong Pan
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS (2022)
Simultaneous hydrogen production with the selective oxidation of benzyl alcohol to benzaldehyde by a noble-metal-free photocatalyst VC/CdS nanowires
Muhammad Tayyab et al.
CHINESE JOURNAL OF CATALYSIS (2022)
Influence of high pressure on the structure, hardness and brittle-to-ductile transition of NbSi2 ceramics
D. L. Pu et al.
CERAMICS INTERNATIONAL (2021)
First-principles calculations on the adhesion strength, fracture mechanism, interfacial bonding of the semi-coherent Al(111)/Al3BC(0001) interfaces
Mingjun Peng et al.
APPLIED SURFACE SCIENCE (2021)
Influence of transition metal on the mechanical and electronic properties of RuB2 from first-principles calculations
Yong Pan
CHEMICAL PHYSICS LETTERS (2021)
Excellent destabilization effect and ideal desorption temperature in the hydride Mg2FeH6 substituted with yttrium; a first principles study
Su-Il Ri et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2021)
Development of Ca-Mg-H2-ZrCl4 composite for hydrogen storage applications
Pankaj Kumar Singh et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2021)
The influence of Ag and Cu on the electronic and optical properties of ZrO from first-principles calculations
Yong Pan
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2021)
The elastic anisotropy, electronic and thermodynamic properties of TM5Si4(TM= Sc, Y, Ti, Zr and Hf) silicides from first-principles calculations
Na Zhu et al.
VACUUM (2021)
Enhanced electrochemical performance of cobalt doped MoS2/N, S-rGO composite as Electrode Materials for Supercapacitor Application
S. Silambarasan et al.
MATERIALS LETTERS (2021)
Structural evolution, lattice dynamics, electronic and thermal properties of VH2 under high pressure
Shiquan Feng et al.
SOLID STATE COMMUNICATIONS (2021)
Role of hydrogen on the structural stability, mechanical and thermodynamic properties of the cubic TM3Si silicides
Yong Pan
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2021)
Influence of noble metals on the electronic and optical properties of LiH hydride: First-principles calculations
Ende Yu et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2021)
Prediction the structure, mechanical properties and melting point of D8m-Mo5SiB2 and Cmcm-Mo5SiB2
Delin Pu et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2021)
First-Principles Investigation of the Structural, Mechanical, and Thermodynamic Properties of Hexagonal and Cubic MoAl5 Alloy
Yong Pan
JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE (2021)
Unveiling structural, electronic properties and chemical bonding of (VH2)n (n=10-30) nanoclusters: DFT investigation
Na Lv et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2021)
The influence of N-vacancy on the electronic and optical properties of bulk InN nitrides
Yong Pan
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS (2021)
Emerging Cocatalysts on g-C3N4 for Photocatalytic Hydrogen Evolution
Qiaohong Zhu et al.
SMALL (2021)
Exploring the novel structure, transportable capacity and thermodynamic properties of TiH2 hydrogen storage material
Yong Pan et al.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2020)
The catalytic effect of ZrCl4 on thermal dehydrogenation LiAlD4
Sanjay Kumar et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2020)
Influence of vacancy on the elastic properties, ductility and electronic properties of hexagonal C40 MoSi2 from first-principles calculations
Yong Pan et al.
VACUUM (2020)
First-principles investigation of the structure, mechanical and hydrogen adsorption behavior ofNiPtnanoparticle
Yong Pan et al.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2020)
A comparative theoretical investigation of optoelectronic and mechanical properties of KYS2 and KLaS2
Adel Allal et al.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2020)
Adsorption and decomposition properties of HMX on MgH2(110) surface: A first Principles study
Yang Zhang et al.
CHEMICAL PHYSICS (2020)
Structural Stability and Electronic and Optical Properties of Bulk WS2from First-Principles Investigations
Shuang Chen et al.
JOURNAL OF ELECTRONIC MATERIALS (2020)
The structural stability and optical properties of NiPt nanomaterial from first-principles investigations
Yong Pan
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2020)
The structural, mechanical and thermodynamic properties of the orthorhombic TMA1 (TM=Ti, Y, Zr and Hf) aluminides from first-principles calculations
Yong Pan
VACUUM (2020)
Exploring the novel structure, elastic and thermodynamic properties of W3Si silicides from first-principles calculations
Y. Pan et al.
CERAMICS INTERNATIONAL (2019)
Theoretical discovery of high capacity hydrogen storage metal tetrahydrides
Yong Pan
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)
First-principles study of the effect of Cr and Al on the oxidation resistance of WSi2
Shuanglun Wang et al.
CHEMICAL PHYSICS LETTERS (2018)
Nickel Boride Cocatalyst Boosting Efficient Photocatalytic Hydrogen Evolution Reaction
Qiaohong Zhu et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2018)
Prediction of New Phase and Electrochemical Properties of Li2S2 for the Application of Li-S Batteries
Y. Pan et al.
INORGANIC CHEMISTRY (2018)
Role of S-S interlayer spacing on the hydrogen storage mechanism of MoS2
Yong Pan
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2018)
Hydrogen diffusion and vacancy clusterization in iron
Guocai Lv et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2018)
Insight into sulfur vacancy-induced insulator to metal transition of Li2S
Yong Pan
FUNCTIONAL MATERIALS LETTERS (2017)
Novel MAX-phase Ti3AlC2 catalyst for improving the reversible hydrogen storage properties of MgH2
Ke Wang et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2017)
Carbon scaffold modified by metal (Ni) or non-metal (N) to enhance hydrogen storage of MgH2 through nanoconfinement
Yi Jia et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2017)
Effect of pressure on structural, elastic and mechanical properties of transition metal hydrides Mg7TMH16 (TM = Sc, Ti, V, Y, Zr and Nb): First-principles investigation
Kamel Benyelloul et al.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2017)
Evolution of reduced Ti containing phase(s) in MgH2/TiO2 system and its effect on the hydrogen storage behavior of MgH2
D. Pukazhselvan et al.
JOURNAL OF POWER SOURCES (2017)
Development of vanadium based hydrogen storage material: A review
Sanjay Kumar et al.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2017)
Insulator-to-metal transition of lithium-sulfur battery
Yong Pan et al.
RSC ADVANCES (2017)
Elastic, lattice dynamical, thermal stabilities and thermodynamic properties of BiF3-type Mg3RE compounds from first-principles calculations
Xudong Zhang et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2016)
Metallic Intermediate Hydride Phase of LaMg2Ni with Ni-H Covalent Bonding: Precursor State for Complex Hydride Formation
Kazutoshi Miwa et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Prediction of new stable structure, promising electronic and thermodynamic properties of MoS3: Ab initio calculations
Yong Pan et al.
JOURNAL OF POWER SOURCES (2016)
Synthesis and hydrogen sorption properties of TiV(2-x) Mnx BCC alloys
Thomas Bibienne et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2015)
First-principles investigation of electronic, mechanical and thermodynamic properties of L1(2) ordered Co-3(M, W) (M = Al, Ge, Ga) phases
W. W. Xu et al.
ACTA MATERIALIA (2013)
Hexavalent hydrogen complex in hypothetical Y2CrH6
Shigeyuki Takagi et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2013)
Thermodynamical Stability of Complex Transition Metal Hydrides M2FeH6
Kazutoshi Miwa et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
A theoretical study of the influence of dopants on the dehydrogenation properties of VH2
Li Rong et al.
SCIENCE CHINA-CHEMISTRY (2011)
Mechanochemically driven nonequilibrium processes in MNH2-CaH2 systems (M = Li or Na)
Oleksandr Dolotko et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2010)
First-principles simulation: ideas, illustrations and the CASTEP code
MD Segall et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)