精细化工

碳纳米材料的稳定性、电子结构、金属与非金属相互作用、理化性质、化学区域选择性及反应机理、均相及非均相催化反应机理等

1.      M. Y. Li, Y. Q. Zhou, B. Wei, Q. Wei, K. Yuan, Y. X. Zhao. Insight into the Interaction of Host-Guest Structures based on Pyrroles-Based Metal Compounds and C70. J. Chem. Phys. 2024, 160, 124307-124307.
2.      H. Y. Bai, X. L. Jin, X. H. Ma, Y. X. Zhao, H. Z. Wang, J. J. Yu, L. Ding, C. H. Wei, H. W. Zhou, W. X. Chen. Efficient Preparation Strategy of High Quantum Yield Multicolor CDs for Warm White LED. Chem. Eng. J. 2024, 488, 150980-150980.
3.      Y. X. Zhao, Y. L. Li, W. X. Chen, X. L. Jin, A Regenerable and Highly Stable Two-Dimensional Imine-Based Covalent Organic Framework for Simultaneous Rapid Detection and Adsorption of Cu2+ Ions, Inorg. Chem., 2024, 63, 1879-1887.
4.      Y. X. Zhao, W. X. Chen, M. Y. Li, K. Yuan, M. An, Enhancement of Nonlinear Optical Properties of Nanocarbon Cluster C60 by Aluminum Doping, Int. J. Quantum Chem. 2024, 1, e27269.
5.      Y. X. Zhao, M. Y. Li, X. Zhao, K. Yuan, W. X. Chen, A Lithium Cycloparaphenylene as An Emerging Second-Order Nonlinear Optical Molecular Switch, Cell Rep. Phys. Sci. 2023, 4, 101653–101653.
6.      Y. X. Zhao, W. X. Chen, M. Y. Li, X. Zhao, Thermodynamically instead of kinetically controlled [6,6]-open monoadduct for the photoreaction of Dy2TiC@Ih-C80 with diazirine. Organometallics, 2023, 42, 372–376.
7.      Y. X. Zhao, W. Q. Shen, W. X. Chen, X. Lu, Lu-Lu Bond in Lu2@C60 Metallofullerenes, Inorganics, 2023, 11, 277-277.
8.      Y. Z. Liu, K. Yuan, M. Y. Li, P. Zhao, Y. X. Zhao, X. Zhao, Nanoscale Saturn Systems Based on C60/70 Bucky Ball and a Newly Designed [4]Cyclopara-1,2-diphenylethylene Hoop: A Strategy for Fullerene Encapsulation Release and Selective Recognition for C70, Inorg. Chem. 2023, 62, 8993–9004.
9.      K. Yuan, L. L. Lv, X. Yan, Y. Z. Liu, M. Y. Li, Y. X. Zhao, X. Zhao, Grape bunches of novel conjugated chain bonded fullerene oligomers: Design of a potential electron trap carbonaceous molecular material, Phys. Chem. Chem. Phys. 2023, 25, 5743–5757.
10.     K. Yuan, M. Y. Li, Y. X. Zhao, Y. Z. Liu, X. Zhao, Composition‐selective full inclusion host–guest interaction of azobenzene‐containing photoresponsive nanoring with fullerene C60, J. Comput. Chem. 2022, 43, 1276–1285.
11.     M. Q. Chen, Y. X. Zhao, F. Jin, M. Y. Li, R. N. Guan, J. P. Xin, Y. R. Yao, X. Zhao, G. W. Wang, Q. Y. Zhang, S. Y. Xie, S. F. Yang, Decisive role of non-rare earth metals in high-regioselectivity addition of μ3-carbido clusterfullerene, Inorg. Chem. Front. 2022, 9, 5688–5696.
12.     M. An, H. T. Wang, Y. J. Yuan, D. S. Chen, W. G. Ma, S. W. Sharshir, Z. H. Zheng, Y. X. Zhao, X. Zhang, Strong phonon coupling induces low thermal conductivity of one-dimensional carbon boron nanotube, Surf. Interfaces 2022, 28, 101690–101690.
13.     M. Y. Li, Y. X. Zhao, Z. B. Gao, K. Yuan, X. Zhao, Theoretically modelling graphene-like carbon matryoshka with strong stability and particular three-center two-electron π bonds, Phys. Chem. Chem. Phys. 2021, 23, 11907–11916.
14.     M. Y. Li, Y. X. Zhao, K. Yuan, Y. B. Han, J. Zhang, Y. Wu, M. Ehara, S. Nagase, X. Zhao, Lithium-bromine exchange reaction on C60: first theoretical proposal of a stable singlet fullerene carbene without the heteroatom, Org. Chem. Front. 2021, 8, 1551–1562.
15.     K. N. Zhang, H. Zheng, M. Y. Li, Q. Z. Li, Y. X. Zhao, X. Zhao, Significant Roles of a Particularly Stable Two-Center Two-Electron Lu–Lu σ Bond in Lu2@C86: Electronic Structure of Lu and Radius of Lu2+, Inorg. Chem. 2021, 60, 2425–2436.
16.     Y. X. Zhao, K. Yuan, M. Y. Li, X. Zhao, Oxidation states of gallium (infrequent I and common III) tunable via medium-sized C60 and small-sized C28 fullerenes, Inorg. Chem. Front. 2020, 7, 4113–4117.
17.     Y. X. Zhao, K. Yuan, Y. B. Han, M. Y. Li, M. Ehara, X. Zhao, Theoretical Insight into Thermodynamically Optimal U@C84: Three-Electron Transfer Rather Than Four-Electron Transfer, Inorg. Chem. 2020, 59, 12650–12658.
18.     Y. X. Zhao, X. Zhao, On the stabilization of Sc3C@Ih(31924)-C80 by functionalization of fluorine, Chem. Phys. Lett. 2020, 759, 137969–137969.
19.     M. Y. Li, Y. X. Zhao, Y. B. Han, K. Yuan, K. N. Zhang, Y. Q. Chen, M. Ehara, S. Nagase, X. Zhao, Covalent interactions depend on the distances between metals and fullerenes for thermodynamically stable M@C78 (M = La, Ce, and Sm), Inorg. Chem. Front. 2020, 7, 2538–2547.
20.     H. Zheng, H. P. Dang, Y. X. Zhao, Y. X. Gu, M. Y. Li, Q. Z. Li, X. Zhao, Theoretical Investigations of Lu2C84: Unexpected Impact of Metal Electronic Configuration toward the Meta-Metal σ-Bond in Fullerene, Inorg. Chem. 2020, 59, 10113–10122.
21.     Y. X. Zhao, M. Y. Li, P. Zhao, M. Ehara, X. Zhao, New Insight into U@C80: Missing U@D3(31921)-C80 and Nuanced Enantiomers of U@C1(28324)-C80, Inorg. Chem. 2019, 58, 14159–14166.（与实验结果吻合）
22.     Y. X. Zhao, K. Yuan, M. Y. Li, M. Ehara, X. Zhao, In-Depth Theoretical Probe into Novel Mixed-Metal Uranium-Based Endohedral Clusterfullerenes Sc2UX@Ih(31924)-C80 (X = C, N), Inorg. Chem. 2019, 58, 10769–10777. （与实验结果吻合）
23.     Y. X. Zhao, M. Y. Li, Y. M. Xiong, S. Rahmani, K. Yuan, R. S. Zhao, M. Ehara, S. Nagase, X. Zhao, Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O), J. Comput. Chem. 2019, 40, 2730–2738.
24.     Y. X. Zhao, M. Y. Li, R. S. Zhao, P. Zhao, K. Yuan, Q. Z. Li, X. Zhao, Unmasking the Optimal Isomers of Ti2C84: Ti2C2@C82 Instead of Ti2@C84, J. Phys. Chem. C 2018, 122, 13148–13155.（与实验结果吻合）
25.     M. Y. Li, Y. X. Zhao, K. Yuan, R. S. Zhao, P. Zhao, X. Zhao, Insight into the thermodynamically preferred V3N@Ih(31924)-C80 and acknowledged VxSc3-xN@Ih(31924)-C80 (x = 0, 1, and 2), Carbon, 2018, 132, 312–322.（与实验结果吻合）

1. 国家自然科学基金项目, 结题，参与
2. 西安工业大学科研启动项目，在研，主持
3. 陕西省自然科学基础研究计划项目, 在研, 主持
4. 横向项目，在研, 主持