Sun Lab @ Westlake University

2

Photoluminescent Rare-Earth Qubits Embedded in a Metal−Organic Framework as Candidates for Optical Quantum Memories
Xiya Du, Lei Sun^*
ChemRxiv 2025, doi: 10.26434/chemrxiv-2025-zwlnt

1

Above the Energy Gap Law: Heavy Chalcogenide Substitution in NIR II-Emissive Diradicaloid Qubits
Lauren E. McNamara, Aimei Zhou, Sophie W. Anferov, Matthew D. Krzyaniak, Michael R. Wasielewski, Lei Sun, Jan-Niklas Boyn, Richard D. Schaller, John S. Anderson^*
ChemRxiv 2025, doi: 10.26434/chemrxiv-2025-9xk7r

13

Quantum Sensing of Microscopic Viscosity with a Molecular Qubit Framework
Aimei Zhou, Lei Sun^*
APL Mater. 2025, accepted

12

Phononic Modulation of Spin-Lattice Relaxation in Molecular Qubit Frameworks
Aimei Zhou, Denan Li, Mingshu Tan, Yanpei Lv, Simin Pang, Xinxing Zhao, Zhifu Shi, Jun Zhang, Feng Jin, Shi Liu, Lei Sun^*
Nat. Commun. 2024, 15, 10763

11

Fluoride Clusterfullerenes: Tuning Metal−Metal Bonding and Magnetic Properties via Single Fluorine Atom Doping
Yi Shen^†, Yannick Roselló^†, Laura Abella^†, Jiawei Qiu^†, Xiya Du, Qingyu Meng, Lihao Zheng, Zhengkai Cao, Zhiwen He, Josep M. Poblet, Luis Echegoyen, Lei Sun, Antonio Rodríguez-Fortea^*, Ning Chen^*
J. Am. Chem. Soc. 2024, 146 (50), 34924−34933

10

Synthesis and Structure of a Non-van-der-Waals Two-Dimensional Coordination Polymer with Superconductivity
Zhichao Pan^†, Xing Huang^†, Yunlong Fan, Shaoze Wang, Yiyu Liu, Xuzhong Cong, Tingsong Zhang, Shichao Qi, Ying Xing, Yu-Qing Zheng, Jian Li, Xiaoming Zhang, Wei Xu, Lei Sun, Jian Wang, Jin-Hu Dou^*
Nat. Commun. 2024, 15, 9342

9

Optimizing the Spin Qubit Performance of Lanthanide-Based Metal−Organic Frameworks
Xiya Du, Lei Sun^*
Inorg. Chem. Front. 2024, 11 (24), 8660−8670
Featured in "2024 Inorganic Chemistry Frontiers HOT Articles"

8

Atmospheric Modulation of Apparent Electrical Conductivity in a Metal−Organic Framework
Yingchao Wang, Parker S. Brodale, Xiaohe Miao, Christopher H. Hendon, Lei Sun^*
Commun. Mater. 2024, 5, 172

7

CaY@C_2n: Exploring Molecular Qubits with Ca−Y Metal−Metal Bond
Jiawei Qiu^†, Laura Abella^†, Xiya Du^†, Zhengkai Cao, Zhiwen He, Qingyu Meng, Yingjing Yan, Josep M. Poblet, Lei Sun^*, Antonio Rodríguez-Fortea^*, Ning Chen^*
J. Am. Chem. Soc. 2024, 146 (35), 24310−24319

6

Coherent Addressing of Single Molecular Electron Spin Qubits
Xiya Du^†, Aimei Zhou^†, Lei Sun^*
Chin. J. Chem. 2024, 42 (22), 2895−2901

5

Spin-Lattice Relaxation with Non-Linear Couplings: Comparison between Fermi's Golden Rule and Extended Dissipaton Equation of Motion
Rui-Hao Bi, Yu Su, Yao Wang, Lei Sun, Wenjie Dou^*
J. Chem. Phys. 2024, 161 (2), 024105

4

Stable Organic Radical Qubits and Their Applications in Quantum Information Science
Aimei Zhou, Zhecheng Sun, Lei Sun^*
The Innovation 2024, 5 (5), 100662

3

Emergent Physics in Metal−Organic Frameworks
Shaoze Wang^*, Yingchao Wang, Haozhou Sun, Lei Sun^*
Chin. J. Chem. 2024, 42 (20), 2514−2519
Featured as Inside Back Cover

2

Machine Learning-Driven Discovery and Structure−Activity Relationship Analysis of Conductive Metal−Organic Frameworks
Jinlong Lin, Huibiao Zhang, Mojgan Asadi, Kai Zhao, Luming Yang, Yunlong Fan, Jintao Zhu, Qianyi Liu, Lei Sun, Wenjun Xie, Chenru Duan, Fanyang Mo, Jin-Hu Dou^*
Chem. Mater. 2024, 36 (11), 5436−5445

1

Realizing Solution-Phase Room Temperature Quantum Coherence in a Tetrathiafulvalene-Based Diradicaloid Complex
Lauren E. McNamara^†, Aimei Zhou^†, Tijana Rajh, Lei Sun^*, John S. Anderson^*
Cell Rep. Phys. Sci. 2023, 4 (12), 101693
Featured in "Editors Choice — 2023"

37

Detrimental Increase of Spin-Phonon Coupling in Molecular Qubits on Substrates
Kathleen R. Mullin, Rianna B. Greer, Michael J. Waters, M. Jeremy Amdur, Lei Sun, Danna E. Freedman, James M. Rondinelli^*
ACS Appl. Mater. Interface 2024, 16 (30), 40160−40169

36

Long-Lived Electronic Spin Qubits in Single-Walled Carbon Nanotubes
Jia-Shiang Chen^†, Kasidet Jing Trerayapiwat^†, Lei Sun^†, Matthew D. Krzyaniak, Michael R. Wasielewski, Tijana Rajh, Sahar Sharifzadeh, Xuedan Ma^*
Nat. Commun. 2023, 14, 848

35

Electronic Spin Qubit Candidates Arrayed Within Layered Two-Dimensional Polymers
Alexander K. Oanta, Kelsey A. Collins, Austin M. Evans, Saied Md Pratik, Lyndon A. Hall, Michael J. Strauss, Seth R. Marder, Deanna M. D'Alessandro, Tijana Rajh, Danna E. Freedman, Hong Li, Jean-Luc Brédas, Lei Sun^*, William R. Dichtel^*
J. Am. Chem. Soc. 2023, 145 (1), 689−696

34

Hyperfine Interactions and Coherent Spin Dynamics of Isotopically Purified ¹⁶⁷Er³⁺ in Polycrystalline Y₂O₃
Tijana Rajh^*, Lei Sun, Shobhit Gupta, Jun Yang, Haitao Zhang, Tian Zhong^*
Mater. Quantum Technol. 2022, 2 (4), 045002

33

Room-Temperature Quantitative Quantum Sensing of Lithium Ions with a Radical-Embedded Metal−Organic Framework
Lei Sun^†,*, Luming Yang^†, Jin-Hu Dou, Jian Li, Grigorii Skorupskii, Michael Mardini, Kong Ooi Tan, Tianyang Chen, Chenyue Sun, Julius J. Oppenheim, Robert G. Griffin, Mircea Dincă^*, Tijana Rajh^*
J. Am. Chem. Soc. 2022, 144 (41), 19008−19016

32

Chemical Control of Spin−Lattice Relaxation to Discover a Room Temperature Molecular Qubit
M. Jeremy Amdur, Kathleen R. Mullin, Michael J. Waters, Danilo Puggioni, Michael K. Wojnar, Mingqiang Gu, Lei Sun, Paul H. Oyala, James M. Rondinelli^*, Danna E. Freedman^*
Chem. Sci. 2022, 13 (23), 7034−7045

31

Predicting Multi-Epitope Vaccine Candidates Using Natural Language Processing and Deep Learning
Xiao Yuan^*, Daniel Bibl, Kahlil Khan, Lei Sun
2021 IEEE 21st International Conference on Bioinformatics and Bioengineering (BIBE)
doi: 10.1109/BIBE52308.2021.9635304

30

Controlled n-Doping of Naphthalene Diimide-Based Two-Dimensional Polymers
Austin M. Evans, Kelsey A. Collins, Sangni Xun, Taylor G. Allen, Samik Jhulki, Ioannina Castano, Hannah L. Smith, Michael J. Strauss, Alexander K. Oanta, Lujia Liu, Lei Sun, Obadiah G. Reid, Gjergji Sini, Danilo Puggioni, James M. Rondinelli, Tijana Rajh, Nathan C. Gianneschi, Antoine Kahn, Danna E. Freedman, Hong Li, Stephen Barlow, Garry Rumbles, Jean-Luc Brédas, Seth R. Marder, William R. Dichtel^*
Adv. Mater. 2022, 34 (22), 2101932

29

Strong Magnetocrystalline Anisotropy Arising from Metal−Ligand Covalency in a Metal−Organic Candidate for 2D Magnetic Order
Yiran Wang^†, Michael E. Ziebel^†, Lei Sun, J. Tyler Gish, Tyler J. Pearson, Xue-Zeng Lu, Agnes E. Thorarinsdottir, Mark C. Hersam, Jeffrey R. Long^*, Danna E. Freedman^*, James M. Rondinelli^*, Danilo Puggioni^*, T. David Harris^*
Chem. Mater. 2021, 33 (22), 8712−8721

28

Atomically Precise Single-crystal Structures of Electrically Conducting 2D Metal−Organic Frameworks
Jinhu Dou, Maxx Q. Arguilla, Yi Luo, Jian Li, Weizhe Zhang, Lei Sun, Jenna L. Mancuso, Luming Yang, Tianyang Chen, Lucas R. Parent, Grigorri Skorupskii, Nicole J. Libretto, Chenyue Sun, Min Chieh Yang, Phat Vinh Dip, Edward J. Brignole, Jeffrey T. Miller, Jing Kong, Christopher H. Hendon, Junliang Sun^*, Mircea Dincă^*
Nat. Mater. 2021, 20 (2), 222−228

27

High Electrical Conductivity in a 2D MOF with Intrinsic Superprotonic Conduction and Interfacial Pseudo-capacitance
Jian Su^†, Wen He^†, Xiao-Min Li, Lei Sun, Hai-Ying Wang, Ye-Qian Lan^*, Mengning Ding^*, Jing-Lin Zuo^*
Matter 2020, 2 (3), 711−722

26

Waterproof Molecular Monolayers Stabilize 2D Materials
Cong Su^†, Zongyou Yin^†,*, Qing-Bo Yan, Zegao Wang, Hongtao Lin, Lei Sun, Wenshuo Xu, Tetsuya Yamada, Xiang Ji, Nobuyuki Zettsu, Katsuya Teshima, Jamie H. Warner, Mircea Dincă, Juejun Hu, Mingdong Dong, Gang Su, Jing Kong, Ju Li^*
Proc. Natl. Acad. Sci. U. S. A. 2019, 116 (42), 20844−20849

25

Reversible Redox Switching of Magnetic Order and Electrical Conductivity in a 2D Manganese Benzoquinoid Framework
Lujia Liu, Jordan A. DeGayner, Lei Sun, David Z. Zee, T. David Harris^*
Chem. Sci. 2019, 10 (17), 4652−4661

24

High Electrical Conductivity and Carrier Mobility in oCVD PEDOT Thin Films by Engineered Crystallization and Acid Treatment
Xiaoxue Wang, Xu Zhang, Lei Sun, Dongwook Lee, Sunghwan Lee, Minghui Wang, Junjie Zhao, Yang Shao-Horn, Mircea Dincă, Tomás Palacios, Karen K. Gleason^*
Sci. Adv. 2018, 4 (9), eaat5780

23

Coordination-Induced Reversible Electrical Conductivity Variation in the MOF-74 Analogue Fe₂(DSBDC)
Lei Sun, Christopher H. Hendon, Mircea Dincă^*
Dalton Trans. 2018, 47 (34), 11739−11743

22

Tunable Mixed-Valence Doping toward Record Electrical Conductivity in a Three-Dimensional Metal−Organic Framework
Lilia S. Xie, Lei Sun, Ruomeng Wan, Sarah S. Park, Jordan A. DeGayner, Christopher H. Hendon, Mircea Dincă^*
J. Am. Chem. Soc. 2018, 140 (24), 7411−7414

21

Signature of Metallic Behavior in the Metal−Organic Frameworks M₃(hexaiminobenzene)₂ (M = Ni, Cu)
Jin-Hu Dou, Lei Sun, Yicong Ge, Wenbin Li, Christopher H. Hendon, Ju Li, Sheraz Gul, Junko Yano, Eric A. Stach, Mircea Dincă^*
J. Am. Chem. Soc. 2017, 139 (39), 13608−13611

20

A Microporous and Naturally Nanostructured Thermoelectric Metal−Organic Framework with Ultralow Thermal Conductivity
Lei Sun, Bolin Liao, Dennis Sheberla, Daniel Kraemer, Jiawei Zhou, Eric A. Stach, Dmitri Zakharov, Vitalie Stavila, A. Alec Talin, Yicong Ge, Mark D. Allendorf, Gang Chen, François Léonard, Mircea Dincă^*
Joule 2017, 1 (1), 168−177

19

Is Iron Unique in Promoting Electrical Conductivity in MOFs?
Lei Sun, Christopher H. Hendon, Sarah S. Park, Yuri Tulchinsky, Ruomeng Wan, Fang Wang, Aron Walsh, Mircea Dincă^*
Chem. Sci. 2017, 8 (6), 4450−4457

18

Rapid and Precise Determination of Zero-Field Splittings by Terahertz Time-Domain Electron Paramagnetic Resonance Spectroscopy
Jian Lu, I. Ozge Ozel, Carina A. Belvin, Xian Li, Grigorii Skorupskii, Lei Sun, Benjamin K. Ofori-Okai, Mircea Dincă, Nuh Gedik, Keith Nelson^*
Chem. Sci. 2017, 8 (11), 7312−7323

17

2D Conductive Iron-Quinoid Magnets Ordering up to T_C = 105 K via Heterogeneous Redox Chemistry
Jordan A. DeGayner, Ie-Rang Jeon, Lei Sun, Mircea Dincă, T. David Harris^*
J. Am. Chem. Soc. 2017, 139 (11), 4175−4184

16

High Temperature Ferromagnetism in π-Conjugated Two-Dimensional Metal−Organic Frameworks
Wenbin Li, Lei Sun, Jingshan Qi, Pablo Jarillo-Herrero, Mircea Dincă^*, Ju Li^*
Chem. Sci. 2017, 8 (4), 2859−2867

15

Conetronics in 2D Metal−Organic Frameworks: Double/Half Dirac Cones and Quantum Anomalous Hall Effect
Menghao Wu^*, Zhijun Wang, Junwei Liu, Wenbin Li, Huahua Fu, Lei Sun, Xin Liu, Minghu Pan, Hongming Weng, Mircea Dincă, Liang Fu, Ju Li^*
2D Mater. 2017, 4 (1), 015015

14

Measuring and Reporting Electrical Conductivity in Metal−Organic Frameworks: Cd₂(TTFTB) as a Case Study
Lei Sun, Sarah S. Park, Dennis Sheberla, Mircea Dincă^*
J. Am. Chem. Soc. 2016, 138 (44), 14772−14782

13

Solid-State Redox Switching of Magnetic Exchange and Electronic Conductivity in a Benzoquinoid-Bridged Mn^II Chain Compound
Ie-Rang Jeon, Lei Sun, Bogdan Negru, Richard P. Van Duyne, Mircea Dincă, T. David Harris^*
J. Am. Chem. Soc. 2016, 138 (20), 6583−6590

12

Electrochemical Oxygen Reduction Catalyzed by Ni₃(hexaiminotriphenylene)₂
Elise M. Miner, Tomohiro Fukushima, Dennis Sheberla, Lei Sun, Yogesh Surendranath, Mircea Dincă^*
Nat. Commun. 2016, 7, 10942

11

Electrically Conductive Porous Metal−Organic Frameworks
Lei Sun^†, Michael G. Campbell^†, Mircea Dincă^*
Angew. Chem. Int. Ed. 2016, 55 (11), 3566−3579; Angew. Chem. 2016, 128 (11), 3628−3642

10

Magnetic Ordering in TCNQ-Based Metal−Organic Frameworks with Host-Guest Interactions
Xuan Zhang, Mohamed R. Saber, Andrey P. Prosvirin, Joseph H. Reibenspies, Lei Sun, Maria Ballesteros-Rivas, Hanhua Zhao, Kim R. Dunbar^*
Inorg. Chem. Front. 2015, 2 (10), 904−911

9

Million-Fold Electrical Conductivity Enhancement in Fe₂(DEBDC) versus Mn₂(DEBDC) (E = S, O)
Lei Sun, Christopher H. Hendon, Mikael A. Minier, Aron Walsh, Mircea Dincă^*
J. Am. Chem. Soc. 2015, 137 (19), 6164−6167

8

Cation-Dependent Intrinsic Electrical Conductivity in Isostructural Tetrathiafulvalene-Based Microporous Metal−Organic Frameworks
Sarah S. Park, Eric R. Hontz, Lei Sun, Christopher H. Hendon, Aron Walsh, Troy Van Voorhis, Mircea Dincă^*
J. Am. Chem. Soc. 2015, 137 (5), 1774−1777

7

High Electrical Conductivity in Ni₃(2,3,6,7,10,11-hexaiminotriphenylene)₂, a Semiconducting Metal−Organic Graphene Analogue
Dennis Sheberla, Lei Sun, Martin A. Blood-Forsythe, Süleyman Er, Casey R. Wade, Carl K. Brozek, Alán Aspuru-Guzik, Mircea Dincă^*
J. Am. Chem. Soc. 2014, 136 (25), 8859−8862

6

Mn₂(2,5-disulfhydrylbenzene-1,4-dicarboxylate): A Microporous Metal−Organic Framework with Infinite (−Mn−S−)_∞ Chains and High Intrinsic Charge Mobility
Lei Sun, Tomoyo Miyakai, Shu Seki, Mircea Dincă^*
J. Am. Chem. Soc. 2013, 135 (22), 8185−8188

5

Mono- and Dinuclear Co/Ni Complexes Bearing Redox-Active Tetrathiafulvaleneacetylacetonate Ligands − Synthesis, Crystal Structures, and Properties
Jing Xiong, Gao-Nan Li, Lei Sun, Yi-Zhi Li, Jing-Lin Zuo^*, Xiao-Zeng You
Eur. J. Inorg. Chem. 2011 (33), 5173−5181

4

A New Optical and Electrochemical Sensor for Fluoride Ion Based on the Functionalized Boron-Dipyrromethene Dye with Tetrathiafulvalene Moiety
Jing Xiong, Lei Sun, Ya Liao, Gao-Nan Li, Jing-Lin Zuo^*, Xiao-Zeng You
Tetrahedron Lett. 2011, 52 (46), 6157−6161

3

Synthesis, Structures, and Properties of Metal Complexes Involving π-Conjugated Tetrathiafulvalene-Pyridine Ligand
Gao-Nan Li, Jing Xiong, Ya Liao, Lei Sun, Yi-Zhi Li, Jing-Lin Zuo^*
Polyhedron 2011, 30 (15), 2473−2478

2

Dinuclear Rhenium(I) Carbonyl Complexes Based on π-Conjugated Polypyridyl Ligands with Tetrathiafulvalenes: Synthesis, Crystal Structures, Properties and DFT Calculations
Gao-Nan Li, Tao Jin, Lei Sun, Jie Qin, Di Wen, Jing-Lin Zuo^*, Xiao-Zeng You
J. Organomet. Chem. 2011, 696 (19), 3076−3085

1

Synthesis, Crystal Structures, and Characterization of Heteronuclear Complexes Based on a Versatile Ligand with Both Acetylacetonate and Bis(2-pyridyl) Units
Jing Xiong, Lei Sun, Ling-Chen Kang, Wei Liu, You-Xuan Zheng, Jing-Lin Zuo^*, Xiao-Zeng You
Inorg. Chim. Acta 2011, 376 (1), 36−43

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