| 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 |
