吉林大学高性能计算中心2019年度用户论文(只含致谢中心支持)汇总


提交部门:高性能计算中心    提交时间:2020-11-09 16:25:35    浏览次数[]


序号 用户姓名 刊物名称 影响因子 论文题目
1 张立军 Science 41.04 Thermodynamically stabilized   β-CsPbI3–based perovskite solar cells with efficiencies >18%
2 田夫波 Advanced Science 15.84 New Metallic Ordered Phase of   Perovskite CsPbI3 under Pressure
3 张立军 ACS Energy Letters 14.304 Electrically-Driven Violet   Light-Emitting Devices Based on Highly Stable Lead-Free Perovskite Cs3Sb2Br9   Quantum Dots
4 张立军 Advanced Functional Materials 13.69 Thermochromic Lead‐Free Halide   Double Perovskites
5 张立军 Nature Communications 12.118 Atomically Engineering   Activation Sites onto Metallic 1T-MoS2 Catalysts for Enhanced Electrochemical   Hydrogen Evolution
6 张立军 Nature Communications 12.118 Bottom-up growth of homogeneous   Moiré superlattices in bismuth oxychloride spiral nanosheets
7 张立军 Nature Communications 12.118 Strain engineering in perovskite   solar cells and its impacts on carrier dynamics
8 张立军 Nature Communications 12.118 Ultrasensitive detection of   miRNA with an antimonene-based surface plasmon resonance sensor
9 高旺 Journal of Materials Chemistry A 10.733 Single metal atoms regulated   flexibly by a 2D InSe substrate for CO2 reduction electrocatalysts
10 张晓明 Journal of Materials Chemistry A 10.073 Insight into the role of Ni–Fe   dual sites in the oxygen evolution reaction based on atomically metal-doped   polymeric carbon nitride
11 马琰铭 Chem. Sci. 9.556 A Hypervalent and Cubically   Coordinated Molecular Phase of IF8 Predicted at High Pressure
12 马琰铭 Phys. Rev. Lett. 9.227 Route to a Superconducting Phase   above Room Temperature in Electron-Doped Hydride Compounds under High   Pressure
13 段德芳 npj Computational Materials 9.2 Ternary superconducting   cophosphorus hydrides stabilized via lithium
14 孙洪波 npj Computational Materials 9.2 Excitation to defect-bound band   edge states in two-dimensional semiconductors and its effect on carrier   transport
15 李永峰 ACS Applied Materials &   Interfaces 8.758 Self-Organized Back Surface   Field to Improve the Performance of Cu2ZnSn(S,Se)4 Solar Cells by Applying   P-Type MoSe2:Nb to Back Electrode Interface
16 张立军 ACS Applied Materials &   Interfaces 8.019 Computational Design of   Mixed-Valence Tin Sulfides as Solar Absorbers
17 张立军 Applied Materials Today 8.013 Artificial control of in-plane   anisotropic photoelectricity in monolayer MoS2
18 马琰铭 J. Phys. Chem. Lett. 7.329 Exotic Hydrogen Bonding in   Compressed Ammonia Hydrides
19 马琰铭 J. Phys. Chem. Lett. 7.329 Hard BN Clathrate   Superconductors
20 于吉红 J. Phys. Chem. Lett. 7.329 Necessity of Heteroatoms for   Realizing Hypothetical Aluminophosphate Zeolites: A High-Throughput   Computational Approach
21 武志坚 ACS Sustainable Chem. Eng. 7.09 Improved Oxygen Reduction   Activity in Heteronuclear FeCo-Codoped Graphene: A Theoretical Study
22 王志刚 Carbon 7.082 Dependence of characteristic   interlayer vibration modes on interlayer spin arrangement in stacked graphene   nanofragments
23 李永峰 Solar Energy Materials and Solar   Cells 6.984 Influence of NaErF4@NaYF4   nanoparticles doping on performances of Cu2ZnSn(S,Se)(4) solar cell
24 高旺 Nanoscale 6.97 Monolayer tellurenyne assembled   with helical telluryne: structure and transport properties
25 郑以松 JOURNAL OF MATERIALS CHEMISTRY C 6.641 First-principles calculations on   the intrinsic resistivity of borophene: anisotropy and temperature dependence
26 马琰铭 Sci. Bull. 6.277 Interface structure prediction   via CALYPSO method
27 高旺 Electrochimica Acta 5.383 Flower-like carbon supported   Pd–Ni bimetal nanoparticles catalyst for formic acid electrooxidation
28 张立军 Advanced Electronic Materials 5.324 Design of Mixed‐Cation   Tri‐Layered Pb‐Free Halide Perovskites for Optoelectronic Applications
29 张立军 Advanced Electronic Materials 5.324 Switchable Out‐of‐Plane   Polarization in 2D LiAlTe2
30 武志坚 Appl. Surf. Sci. 4.93 Design of high efficient oxygen   reduction catalyst from the transition metal dimer phthalocyanine monolayer
31 段德芳 Inorganic chemistry 4.85 Unique Phase Diagram and   Superconductivity of Calcium Hydrides at High Pressures
32 田夫波 Journal of Alloys and Compounds 4.65 First principle studies of   ZnO1-xSx alloys under high pressure
33 王志刚 Journal of Molecular Liquids (J.   Mol. Liq.) 4.561 Infrared spectral-shift induced   by hydrogen bonding cooperativity in cyclic and prismatic water clusters
34 韩葳葳 INTERNATIONAL JOURNAL OF   MOLECULAR SCIENCES 4.556 Exploration of Catalytic   Selectivity for Aminotransferase (BtrR) Based on Multiple Molecular Dynamics   Simulations
35 李永峰 ACS Applied Energy Materials 4.473 Improving the Back Electrode   Interface Quality of Cu2ZnSn(S,Se)4 Thin-Film Solar Cells Using a Novel   CuAlO2 Buffer Layer
36 高旺 Journal of Physical Chemistry C 4.309 Molecular Switch by Adsorbing   the Au6 Cluster on Single-Walled Carbon Nanotubes: Role of Many-Body Effects   of vdW Forces
37 武志坚 J. Phys. Chem. C 4.309 Rhodium and Nitrogen Codoped   Graphene as a Bifunctional Electrocatalyst for the Oxygen Reduction Reaction   and CO2 Reduction Reaction: Mechanism Insights
38 张晓明 J. Phys. Chem. C 4.309 Substituent Effect of   Imidazolium Ionic Liquid: A Potential Strategy for High Coulombic Efficiency   Al Battery
39 高旺 ChemElectroChem 3.975 Electroreduction of CO2 on Cu   Clusters: The Effects of Size, Symmetry, and Temperature
40 高旺 New Journal of Physics 3.783 Favored decomposition paths of   hydrogen sulfide at high pressure
41 马琰铭 New J. Phy. 3.773 Superconducting TaH5 at high   pressure
42 马琰铭 Phys. Rev. B 3.736 First-principles study of   high-pressure phase stability and superconductivity of Bi4I4
43 马琰铭 Phys. Rev. B 3.736 High-pressure modulated   structures in beryllium chalcogenides
44 马琰铭 Phys. Rev. B 3.736 Nonlocal kinetic energy density   functional via line integrals and its application to orbital-free density   functional
45 马琰铭 Phys. Rev. B 3.736 PT-symmetry-protected Dirac   states in strain-induced hidden MoS2 monolayer
46 郑以松 PHYSICAL REVIEW B 3.736 Fermi surface nesting and   intrinsic resistivity of beryllium: First-principles calculations
47 郑以松 PHYSICAL REVIEW B 3.736 RKKY interaction in graphene   bubbles
48 高旺 Physical Chemistry Chemical   Physics 3.567 Effects of atomic species and   interatomic distance on the interactions in one-dimensional nanomaterials
49 高旺 Physical Chemistry Chemical   Physics 3.567 Strain engineering of the   electronic and transport properties of monolayer tellurenyne
50 马琰铭 Phys. Chem. Chem. Phys. 3.567 Computational discovery and   characterization of new B2O phases
51 王志刚 PHYSICAL CHEMISTRY CHEMICAL   PHYSICS (Phys. Chem. Chem. Phys.) 3.567 An effective method to make   polymers degrade readily: spatial isomerization
52 郑以松 PHYSICAL CHEMISTRY CHEMICAL   PHYSICS 3.567 Electron-phonon scattering   limited hole mobility at room temperature in a MoS2 monolayer:   first-principles calculations
53 李红东 Applied Physics Letters 3.521 Spin and charge state dependent   electrical and magnetic properties of diamond with defects of vacancy and   substituted silicon by first-principles calculation
54 武志坚 Journal of The Electrochemical   Society 3.34 Cu Doped Crystalline   Carbon-Conjugated g-C3N4, a Promising Oxygen Reduction Catalyst by   Theoretical Study
55 高旺 Progress in Natural Science:   Materials International 3.31 CO adsorption on metal doped 2D   InSe: Mechanism and application
56 马琰铭 New J. Chem. 3.069 Iron-magnesium compounds under   high pressure
57 刘冰冰 RSC Advances 3.049 Armchair shaped polymeric   nitrogen N8 chains confined in h-BN matrix at ambient conditions: stability   and vibration analysis
58 马琰铭 RCS Adv 3.049 Structure evolution of   chromium-doped boron clusters: toward the formation of endohedral boron cages
59 张晓明 RSC Advances 3.049 The mechanism and activity of   oxygen reduction reaction on single atom doped graphene: a DFT method
60 李红东 Results in Physics 3.042 Electronic structures of   two-dimensional hydrogenated bilayer diamond films with Si dopant and Si-V   center
61 马琰铭 J. Chem. Phys. 2.997 Ti-fraction-induced electronic   and magnetic transformations in titanium oxide films
62 闫冰 The Journal of Chemical Physics 2.997 Laser-cooling with an   intermediate electronic state:Theoretical prediction on bismuth hydride
63 闫冰 Journal of Quantitative   Spectroscopy & Radiative Transfer 2.955 Spin-orbit coupling in low-lying   Electronic States Of Mercury hydride
64 王志刚 ADVANCED THEORY AND SIMULATIONS   (Adv. Theory Simul.) 2.951 The Reliability of the   Density-Functional Theory in Actinide Endohedral Systems
65 马琰铭 Phys. Rev. Mater. 2.926 Impact of organic molecule   rotation on the optoelectronic properties of hybrid halide perovskites
66 韩葳葳 ACS OMEGA 2.87 MecMechanistic Insights into the   Effect of Ligands on Structural Stability and Selectivity of Sulfotransferase   2A1 (SULT2A1)
67 段德芳 Journal of Physics: Condensed   Matter 2.711 High-temperature   superconductivity in ternary clathrate YCaH12 under high pressures
68 段德芳 Journal of Physics: Condensed   Matter 2.711 Structure and superconductivity   of protactinium hydrides under high pressure
69 马琰铭 J. Phys. Condens. Matter 2.711 Ab initio electronic structure   calculations using a real-space Chebyshev-filtered subspace iteration method
70 马琰铭 J. Phys. Condens. Matter 2.711 Computational prediction of   a  +4 oxidation state in Au via compressed AuO2 compound
71 郑以松 JOURNAL OF PHYSICS-CONDENSED   MATTER 2.711 Effects of uniaxial tensile   strain on the electron-phonon scattering limited carrier mobility in an   n-type monolayer MoS2 at room temperature: first-principles calculations
72 郑以松 COMPUTATIONAL MATERIALS SCIENCE 2.644 Magnetism in Cu2Si zigzag   nanoribbon
73 张立军 Progress in Natural   Science-Materials International 2.64 First-principles investigation   of structural and electronic properties of oxygen adsorbing phosphorene
74 王志刚 ROYAL SOCIETY OPEN SCIENCE (Roy.   Soc. Open Sci.) 2.515 The nature of small molecules   adsorbed on defective carbon nanotubes
75 段德芳 Frontiers of Physics 2.483 Ab initio studies of copper   hydrides under high pressure
76 于吉红 CHINESE JOURNAL OF CHEMISTRY 2.376 Systematic Study of   Ti-Distribution in Titanosilicate *BEA Zeolites via Symmetry-Adapted   Enumeration
77 李红东 Journal of Applied Physics 2.328 Structural and electronic   properties of two-dimensional atomically thick (100) diamond nanofilms by   first-principles calculations
78 田夫波 Physica Status Solidi-Rapid   Research Letters 2.291 Structural, electronic, and   optical properties of ZnO1-xTex alloys
79 李永峰 Journal of Applied Physics 2.138 Structural, electrical, and   optical properties of Ag2ZnSnSe4 for photodetection application
80 王志刚 CHEMICAL PHYSICS LETTERS (Chem.   Phys. Lett.) 1.901 Intermolecular vibrational   energy transfers in nitro-energetic molecules: A first-principles molecular   dynamics study
81 李红东 Chin. Phys. B 1.469 Structural model of   substitutional sulfur in diamond
82 孙洪波 Chinese Physics B 1.469 Unconventional phase transition   of phase-change-memory materials for optical data storage
83 闫冰 Chin. Phys. B . 1.469 Low-lying electronic states of   aluminum monoiodide
84 马琰铭 Solid State Commu. 1.433 Pressure-induced formation of   bulk Ge-Sn compounds with high concentration of Sn
85 田夫波 Chinese Physics B 1.233 Structural and electrical   properties of Ga-Te system under high pressure
86 王志刚 Chinese Physics Letters (Chin.   Phys. Lett.) 1.066 Magnetic Coupling Induced   Self-Assembly at Atomic Level
87 闫冰 The Journal of Physical   Chemistry A 0.483 Interaction and   Photodissociation of Electronic Excited States of HS2 in the Ultraviolet   Region: A Theoretical Contribution





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