李文亮

项目：
1. 有机笼负载金属催化CO2还原的理论模拟，省、市、自治区科技项目，2022年
2. 高通量计算筛选多面体分子笼，省、市、自治区科技项目，2018年
3. 柔性孔对气体在纳孔分子材料中吸附与传输的影响，自选课题，2016年
专著：
1. 气体在纳孔材料中吸附的理论模拟，东北师范大学出版社，01-1年
论文：
1. Two-dimensional conjugated coordination polymer monolayer as anode material for lithium-ion batteries: A DFT study，CHINESE CHEM LETT，2024年
2. Self-purification and silicon-rich interphase achieves high-temperature (70°C) sodium-ion batteries with nonflammable electrolyte，Energy Storage Materials，2024年
3. A metallic two-dimensional b-BS2 monolayer as a superior Na/K-ion battery anode，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2024年
4. B3S2 monolayer as an anode material for Na/K-ion batteries: a first-principles study，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023年
5. 3D Covalent Polyoxovanadate-Organic Framework as Anode for High-Performance Lithium-Ion Batteries，ADVANCED FUNCTIONAL MATERIALS，2023年
6. Highly lithiophilic Ti3C2Tx-MXene anchored on flexible carbon foam scaffolds toward dendrite-free lithium metal anode，NEW CARBON MATERIALS，2023年
7. Reshaping Inner Helmholtz Layer and Electrolyte Structure via Multifunctional Organic Molecule Enabling Dendrite-Free Zn Metal Anode，SMALL，2023年
8. "Pore-Hopping" Ion Transport in Cellulose-Based Separator Towards High-Performance Sodium-Ion Batteries，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2023年
9. Homogeneous Li+ flux realized by an in situ-formed Li-B alloy layer enabling the dendrite-free lithium metal anode，INORGANIC CHEMISTRY FRONTIERS，2023年
10. A theoretical investigation of NO oxidation using single metal atom catalysts with boron nitride，COMPUTATIONAL AND THEORETICAL CHEMISTRY，2023年
11. Spatially Confined Li Growth on Honeycomb-like Lithiophilic Layered Double Hydroxide Nanosheet Arrays toward a Stable Li Metal Anode，ACS APPLIED MATERIALS & INTERFACES，2022年
12. Encapsulation of AIEgens within Metal-Organic Framework toward High-Performance White Light-Emitting Diodes，ADVANCED OPTICAL MATERIALS，2022年
13. Ion sieve membrane: Homogenizing Li+ flux and restricting polysulfides migration enables long life and highly stable Li-S battery，JOURNAL OF COLLOID AND INTERFACE SCIENCE，2022年
14. First-principles calculations on CO2 hydrogenation to formic acid over a metal-doped boron phosphide，MOLECULAR CATALYSIS，2022年
15. Regulating the Li Nucleation/Growth Behavior via Cu2O Nanowire Array and Artificial Solid Electrolyte Interphase toward Highly Stable Li Metal Anode，ACS APPLIED MATERIALS & INTERFACES，2022年
16. The adsorption behavior of H2S, SO2, CO, and O3 on non-noble metal doped BN: A theoretical study，SURFACES AND INTERFACES，2022年
17. First-principles study of borophene/phosphorene heterojunction as anode material for lithium-ion batteries，NANOTECHNOLOGY，2022年
18. Ether-based electrolyte chemistry towards high-voltage and long-life Na-ion full batteries，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2021年
19. N-doped Porous Host with Lithiophilic Co Nanoparticles Implanted into 3D Carbon Nanotubes for Dendrite-Free Lithium Metal Anodes，ACS Applied Energy Materials，2021年
20. CO oxidation on atomic nickel/phosphorene nanosheet: An efficient single-atom catalyst，MOLECULAR CATALYSIS，2021年
21. Tuning the electrochemical performance of Ti3C2 and Hf3C2 monolayer by functional groups for metal-ion battery applications，NANOSCALE，2021年
22. Judicious design functionalized 3D-COF to enhance CO2 adsorption and separation，JOURNAL OF COMPUTATIONAL CHEMISTRY，2021年
23. Pseudocapacitive Lithium Storage of Cauliflower-Like CoFe2O4 for Low-Temperature Battery Operation，CHEM-EUR J，2020年
24. How does the active site in the MoSe2 surface affect its electrochemical performance as anode material for metal-ion batteries?，APPL SURF SCI，2020年
25. Fe doped BN monolayer: A promising low-cost single atom catalyst for promoted CO oxidation activity，APPL SURF SCI，2020年
26. Turn-on fluorescence in a stable Cd(II) metal-organic framework for highly sensitive detection of Cr3+ in water，DYES PIGMENTS，2020年
27. Revealing the potential application of chiral covalent organic frameworks in CO2 adsorption and separation，NEW J CHEM，2020年
28. Micro/Nanoengineered a-Fe2O3 Nanoaggregate Conformably Enclosed by Ultrathin N-Doped Carbon Shell for Ultrastable Lithium Storage and Insight into Phase Evolution Mechanism，CHEM-EUR J，2020年
29. Tailoring Coral-Like Fe7Se8@C for Superior Low-Temperature Li/Na-Ion Half/Full batteries: Synthesis, Structure, and DFT Studies，ACS APPLIED MATERIALS & INTERFACES，2019年
30. Catalytic CO oxidation by Fe doped penta-graphene: A density functional study，MOLECULAR CATALYSIS，2019年
31. Theoretical investigations of the realization of sky-blue to blue TADF materials via CH/N and H/CN substitution at the diphenylsulphone acceptor，JOURNAL OF MATERIALS CHEMISTRY C，2019年
32. Theoretical Investigation of the Topology of Spiroborate-Linked Ionic Covalent Organic Frameworks (ICOFs)，CHEM-EUR J，2019年
33. Selective CO2 adsorption and theoretical simulation of a stable Co(ii)-based metal-organic framework with tunable crystal size，CRYSTENGCOMM，2019年
34. Investigation of Two-Dimensional Hf-Based MXenes as the Anode Materials for Li/Na-Ion Batteries: A DFT Study，J COMPUT CHEM，2019年
35. Al doped MoS2 monolayer: A promising low-cost single atom catalyst for CO oxidation，APPL SURF SCI，2019年
36. The Origin of the Reproduction of Different Nitrogen Uptakes in Covalent Organic Frameworks (COFs)，CHEM-EUR J，2019年
37. Tetranuclear cobalt(ii)-isonicotinic acid frameworks: selective CO2 capture, magnetic properties, and derived "Co3O4" exhibiting high performance in lithium ion batteries，DALTON T，2019年
38. A Nano-Sized [MnII18] Metallamacrocycle as a Building Unit to Construct Stable Metal-Organic Frameworks: Effective Gas Adsorption and Magnetic Properties，CHEM-EUR J，2018年
39. Mechanistic Insight on Water and Substrate Catalyzed the Synthesis of 3-(1H-indol-3-yl)-2-(4-methoxybenzyl) isoindolin-1-one: Driving by Noncovalent Interactions，J COMPUT CHEM，2018年
40. Mechanistic Insights Into N-Bromosuccinimide-Promoted Synthesis of Imidazo[1,2-a]pyridine in Water: Reactivity Mediated by Substrates and Solvent，J COMPUT CHEM，2018年
41. Anionic Lanthanide Metal-Organic Frameworks: Selective Separation of Cationic Dyes, Solvatochromic Behavior, and Luminescent Sensing of Co(II) Ion，INORG CHEM，2018年
42. Charge control of the formation of two neutral/cationic metal-organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism，CRYSTENGCOMM，2018年
43. Bifunctional Separator Coated with Hexachlorocyclotriphosphazene/Reduced Graphene Oxide for Enhanced Performance of Lithium-Sulfur Batteries，CHEM-EUR J，2018年
44. A computational mechanistic study of substratecontrolled competitive O-H and C-H insertion reactions catalyzed by dirhodium(II) carbenoids: insight into the origin of chemoselectivity，Organic Chemistry Frontiers，2018年
45. Selective chiral symmetry breaking and luminescence sensing of a Zn(II) metal-organic framework，DALTON T，2018年
46. Understanding the anchoring effect of Graphene, BN, C2N and C3N4 monolayers for lithium-polysulfides in Li-S batteries，APPL SURF SCI，2018年
47. Layer-stacked Sb@graphene micro/nanocomposite with decent Nastorage, full-cell and low-temperature performances，J ALLOY COMPD，2018年
48. Theoretical Simulation of CH4 Separation from H2 in CAU-17 Materials，J PHYS CHEM C，2017年
49. Gas Adsorption in Mg-Porphyrin-Based Porous Organic Frameworks: A Computational Simulation by First-Principles Derived Force Field，J COMPUT CHEM，2017年
50. Theoretical Simulation of CO2 Capture in Organic Cage Impregnated with Polyoxometalates，J COMPUT CHEM，2017年
51. The Effective Design of a Polysulfide-Trapped Separator at the Molecular Level for High Energy Density Li−S Batteries，ACS APPLIED MATERIALS & INTERFACES，2016年
52. Simulations of Gas Adsorption in Thiophene-Based Cyclo-1,4-phenylene-2',5'-thienylenes Using First-Principles-derived Force Field，J PHYS CHEM C，2016年
53. Theoretical design and simulation of supramolecular polymer unit based on multiple hydrogen bonds，J MOL GRAPH MODEL，2015年