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#Cheng Lu
CoB6 monolayer: A robust two-dimensional ferromagnet
卢成课题组 , 中国地质大学（武汉）
New Theoretical Insights into the Crystal-Field Splitting and Transition Mechanism for Nd3+-Doped Y3Al5O12
卢成课题组 , 中国地质大学（武汉）
Structural and Electronic Properties of Medium-Sized Aluminum-Doped Boron Clusters AlBn and Their Anions
卢成课题组 , 中国地质大学（武汉）
Structural evolution and electronic properties of medium-sized boron clusters doped with scandium
卢成课题组 , 中国地质大学（武汉）
Exhaustive exploration of MgBn (n = 10–20) clusters and their anions
卢成课题组 , 中国地质大学（武汉）
Micromechanism study on electronic and magnetic properties of silicene regulated by oxygen
卢成课题组 , 中国地质大学（武汉）
Rare Helium-Bearing Compound FeO2He Stabilized at Deep-Earth Conditions
卢成课题组 , 中国地质大学（武汉）
High-Pressure Evolution of Crystal Bonding Structures and Properties of FeOOH
卢成课题组 , 中国地质大学（武汉）
Probing the Structural Evolution and Stabilities of Medium-Sized MoBn0/– Clusters
卢成课题组 , 中国地质大学（武汉）
Prediction of Molybdenum Nitride from First-Principle Calculations: Crystal Structures, Electronic Properties, and Hardness
卢成课题组 , 中国地质大学（武汉）
Geometric Structures and Electronic Properties of AlnV0/– (n = 5–14) Clusters: Photoelectron Spectroscopy and Theoretical Calculations
卢成课题组 , 中国地质大学（武汉）
Deciphering the Microstructure and Energy-Level Splitting of Tm3+-Doped Yttrium Aluminum Garnet
卢成课题组 , 中国地质大学（武汉）
Probing the Structural and Electronic Properties of Dirhenium Halide Clusters: A Density Functional Theory Study
卢成课题组 , 中国地质大学（武汉）
Probing the structural and electronic properties of zirconium doped boron clusters: Zr distorted B12 ligand framework
卢成课题组 , 中国地质大学（武汉）
Insights into the effects produced by doping of medium-sized boron clusters with ruthenium
卢成课题组 , 中国地质大学（武汉）
Exploration of high-pressure structural transition and electronic properties of BaFe2S3
卢成课题组 , 中国地质大学（武汉）
Structural and electronic properties of MnSi under high pressure: A first-principles calculation
卢成课题组 , 中国地质大学（武汉）
Prediction of Novel High-Pressure Structures of Magnesium Niobium Dihydride
卢成课题组 , 中国地质大学（武汉）
Iron-based magnetic superhalogens with pseudohalogens as ligands: An unbiased structure search
卢成课题组 , 中国地质大学（武汉）
Structure and luminescence properties of a Nd3+ doped Bi4Ge3O12 scintillation crystal: new insights from a comprehensive study
卢成课题组 , 中国地质大学（武汉）
Theoretical investigation of the electronic structure and luminescence properties for NdxY1−xAl3(BO3)4 nonlinear laser crystal
卢成课题组 , 中国地质大学（武汉）
Prediction of the Iron-Based Polynuclear Magnetic Superhalogens with Pseudohalogen CN as Ligands
卢成课题组 , 中国地质大学（武汉）
Evolution of the Structural and Electronic Properties of Medium-Sized Sodium Clusters: A Honeycomb-Like Na20 Cluster
卢成课题组 , 中国地质大学（武汉）
Structural Stability and Evolution of Medium-Sized Tantalum-Doped Boron Clusters: A Half-Sandwich-Structured TaB12 – Cluster
卢成课题组 , 中国地质大学（武汉）
Probing the Interactions of O2 with Small Gold Cluster AunQ (n = 2–10, Q = 0, −1): A Neutral Chemisorbed Complex Au5O2 Cluster Predicted
卢成课题组 , 中国地质大学（武汉）
Prediction of hypervalent molecules: investigation on MnC (M = Li, Na, K, Rb and Cs; n = 1–8) clusters
卢成课题组 , 中国地质大学（武汉）
Novel structural phases and the electrical properties of Si3B under high pressure
卢成课题组 , 中国地质大学（武汉）
A detailed investigation into the geometric and electronic structures of CoBQn (n = 2–10, Q = 0, −1) clusters
卢成课题组 , 中国地质大学（武汉）
Structure and Electronic Properties of Neutral and Negatively Charged RhBn Clusters (n = 3–10): A Density Functional Theory Study
卢成课题组 , 中国地质大学（武汉）
Structural Evolutions and Crystal Field Characterizations of Tm-Doped YAlO3: New Theoretical Insights
卢成课题组 , 中国地质大学（武汉）
Insights into the geometries, electronic and magnetic properties of neutral and charged palladium clusters
卢成课题组 , 中国地质大学（武汉）
Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations
卢成课题组 , 中国地质大学（武汉）
Study of the Structural and Electronic Properties of Neutral and Charged Niobium-Doped Silicon Clusters: Niobium Encapsulated in Silicon Cages
卢成课题组 , 中国地质大学（武汉）
Structural and Electronic Properties of Ruthenium-Doped Germanium Clusters
卢成课题组 , 中国地质大学（武汉）
Determination of the microstructure, energy levels and magnetic dipole transition mechanism for Tm3+doped yttrium aluminum borate
卢成课题组 , 中国地质大学（武汉）
Probing the low-energy structures of aluminum–magnesium alloy clusters: a detailed study
卢成课题组 , 中国地质大学（武汉）
New insight into the structural evolution of PbTiO3: an unbiased structure search
卢成课题组 , 中国地质大学（武汉）
Deciphering the Structural Evolution and Electronic Properties of Magnesium Clusters: An Aromatic Homonuclear Metal Mg17 Cluster
卢成课题组 , 中国地质大学（武汉）
Structural, electronic and elastic properties of the shape memory alloy NbRu: First-principle investigations
卢成课题组 , 中国地质大学（武汉）
Prediction of Stable Ruthenium Silicides from First-Principles Calculations: Stoichiometries, Crystal Structures, and Physical Properties
卢成课题组 , 中国地质大学（武汉）
Understanding the structural transformation, stability of medium-sized neutral and charged silicon clusters
卢成课题组 , 中国地质大学（武汉）
Geometries, stabilities and fragmental channels of neutral and charged sulfur clusters: SnQ(n = 3–20, Q = 0, ±1)
卢成课题组 , 中国地质大学（武汉）
Exploration of stable stoichiometries, physical properties and hardness in the Rh–Si system: a first-principles study
卢成课题组 , 中国地质大学（武汉）
Systematic theoretical investigation of geometries, stabilities and magnetic properties of iron oxide clusters (FeO)nμ(n = 1–8, μ = 0, ±1): insights and perspectives
卢成课题组 , 中国地质大学（武汉）
Ab-initio study of phase stability, elastic and thermodynamic properties of AlY alloy under pressure
卢成课题组 , 中国地质大学（武汉）
Ab Initio Search for Global Minimum Structures of Pure and Boron Doped Silver Clusters
卢成课题组 , 中国地质大学（武汉）
Structural, Stabilities, and Electronic Properties of Bimetallic Mg2-doped Silicon Clusters
卢成课题组 , 中国地质大学（武汉）
Systematic theoretical investigation of structures, stabilities, and electronic properties of rhodium-doped silicon clusters: Rh2Si n q (n = 1–10; q = 0, ±1)
卢成课题组 , 中国地质大学（武汉）
A density functional study of small sized silver-doped silicon clusters: Ag2Sin (n = 1–13)
卢成课题组 , 中国地质大学（武汉）
Structures, Stabilities, and Electronic Properties of Small-Sized Zr2Sin (n=1–11) Clusters: A Density Functional Study
卢成课题组 , 中国地质大学（武汉）
Novel high-pressure crystal structures of boron trifluoride
卢成课题组 , 中国地质大学（武汉）
Structural Evolution of Carbon Dioxide under High Pressure
卢成课题组 , 中国地质大学（武汉）
Ground-state structure determination and mechanical properties of palladium seminitride
卢成课题组 , 中国地质大学（武汉）
Theoretical investigation on the high-pressure structural transition and thermodynamic properties of cadmium oxide
卢成课题组 , 中国地质大学（武汉）
Algebraic dynamic investigation for heterotrinuclear spin cluster
卢成课题组 , 中国地质大学（武汉）
Characterization of the High-Pressure Structural Transition and Thermodynamic Properties in Sodium Chloride: A Computational Investigation on the Basis of the Density Functional Theory
卢成课题组 , 中国地质大学（武汉）
NbB12−: a new member of half-sandwich type doped boron clusters with high stability
卢成课题组 , 中国地质大学（武汉）