Assembly and Molecular Mechanism Studies on Membrane Remodeling Complex

FAN, Jun (Principal Investigator / Project Coordinator)
Sun, Fei (Co-Investigator)

Department of Materials Science and Engineering

Project: Research

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2025
Achieve an atomic-level understanding of the anion/concentration effect on transport properties for aqueous zinc halide electrolytes
Liang, B., Wang, T., Chen, H., Zhang, Y., Ma, X. & Fan, J., 20 Jun 2025, In: Electrochimica Acta. 526, 146165.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
1 Link opens in a new tab Citation (Scopus)
Adsorption-catalysis mechanism of non-noble single transition metal atom immobilized on Mo₂CS₂ MXene as sulfur hosts for Lithium−Sulfur batteries
Li, N., Fan, J. & Jia, J., 1 Jun 2025, In: Journal of Power Sources. 640, 236783.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
2 Link opens in a new tab Citations (Scopus)
Divergent Activity Shifts of Tin-Based Catalysts for Electrochemical CO₂ Reduction: pH-Dependent Behavior of Single-Atom Versus Polyatomic Structures
Wang, Y., Zhang, D., Sun, B., Jia, X., Zhang, L., Cheng, H., Fan, J. & Li, H., 17 Feb 2025, In: Angewandte Chemie - International Edition. 64, 8, e202418228.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Employing Octahedral Net Charge Descriptors for Designing High-Performance Aqueous Proton Batteries
Zhao, J., Ma, N., Wang, Y., Wang, Z., Wang, T., Liang, B., Zhang, Y., Han, J., Zhi, C. & Fan, J., 3 Mar 2025, In: Angewandte Chemie - International Edition. 64, 10, e202421224.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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First principles and interpretable machine learning aided the exploration of defective MXene for nitrogen reduction reaction
Xiong, Y., Zhang, Y., Wang, Y., Ma, N., Wang, Q., Yang, D., Zhao, J., Luo, S. & Fan, J., 15 Feb 2025, In: Surfaces and Interfaces. 59, 105932.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Highly efficient porous MXene desalination membranes controlled by the thickness of the transition metal carbides
Si, T., Ma, X., Liao, Z., Chen, H., Liang, B., Chu, S. T. & Fan, J., Feb 2025, In: Journal of Membrane Science. 715, 123468.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
10 Link opens in a new tab Citations (Scopus)
Machine Learning accelerated Catalysts Design for CO reduction: An Interpretability and Transferability Analysis
Wang, Y., Zhang, Y., Ma, N., Zhao, J., Xiong, Y., Luo, S. & Fan, J., 1 Apr 2025, In: Journal of Materials Science & Technology. 213, p. 14-23
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
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Structural elucidation of how ARF small GTPases induce membrane tubulation for vesicle fission
Pang, X. (Co-first Author), Zhang, Y. (Co-first Author), Park, K. (Co-first Author), Liao, Z., Li, J., Xu, J., Hong, M.-T., Yin, G., Zhang, T., Wang, Y., Egelman, E. H., Fan, J., Hsu, V. W., Park, S.-Y. & Sun, F., 25 Mar 2025, In: Proceedings of the National Academy of Sciences of the United States of America. 122, 12, e2417820122.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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The influence of P-toluenesulfonyl isocyanate on the solvation structure and solid electrolyte interphase formation on graphite anode under high temperatures
Wang, Q., Ma, N., Zhang, Y., Xiong, Y., Yang, D., Zhang, P. & Fan, J., Feb 2025, In: Journal of Colloid and Interface Science. 679, Part B, p. 1010-1020
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
2 Link opens in a new tab Citations (Scopus)
Theoretical insights and design of MXene for aqueous batteries and supercapacitors: status, challenges, and perspectives
Zhao, J., Ma, N., Wang, T., Wang, Y., Liang, B., Zhang, Y., Luo, S., Xiong, Y., Wang, Q. & Fan, J., 1 Jan 2025, In: Nanoscale Horizons. 10, 1, p. 78-103
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
13 Link opens in a new tab Citations (Scopus)
Unidirectional Drug Delivery and Responsive Release Guided by Nanofunnel-Shaped Heterojunction
Luo, J. (Co-first Author), Huang, C. (Co-first Author), Liao, Z., Ma, X., Si, T., Chen, H., Li, Z. & Fan, J., 14 May 2025, In: Nano Letters. 25, 19, p. 7853-7859
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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2024
A DFT study on regulating the active center of v-Ti₂XT₂ MXene through surface modification for efficient nitrogen fixation
Xiong, Y., Zhang, Y., Wang, Y., Ma, N., Zhao, J., Luo, S. & Fan, J., 15 Jun 2024, In: Journal of Colloid and Interface Science. 664, p. 1-12
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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A review of advancements in theoretical simulation of oxygen reduction reaction and oxygen evolution reaction single-atom catalysts
Ma, N., Xiong, Y., Wang, Y., Zhang, Y., Wang, Q., Luo, S., Zhao, J., Huang, C. & Fan, J., Sept 2024, In: Materials Today Sustainability. 27, 100876.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
8 Link opens in a new tab Citations (Scopus)
Curvature effects regulate the catalytic activity of Co@N₄-doped carbon nanotubes as bifunctional ORR/OER catalysts
Ma, N., Zhang, Y., Wang, Y., Zhao, J., Liang, B., Xiong, Y., Luo, S., Huang, C. & Fan, J., 15 Jan 2024, In: Journal of Colloid and Interface Science. 654, Part B, p. 1458-1468
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
47 Link opens in a new tab Citations (Scopus)
Directly predicting N₂ electroreduction reaction free energy using interpretable machine learning with non-DFT calculated features
Zhang, Y., Wang, Y., Ma, N. & Fan, J., Oct 2024, In: Journal of Energy Chemistry. 97, p. 139-148
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
14 Link opens in a new tab Citations (Scopus)
High-selectivity CO₂-to-CH₄ electrochemical reduction on copper trimer: A theoretical insight
Wang, Y., Zhang, Y., Ma, N., Zhao, J., Xiong, Y., Luo, S. & Fan, J., Jul 2024, In: Surfaces and Interfaces. 50, 104498.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
2 Link opens in a new tab Citations (Scopus)
Mechanism of Membrane Curvature Induced by SNX1: Insights from Molecular Dynamics Simulations
Liao, Z., Si, T., Kai, J.-J. & Fan, J., 7 Mar 2024, In: The Journal of Physical Chemistry B. 128, 9, p. 2144-2153
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Nanopore Identification of Polyglutamine Length via Cross-Slit Sensing
Huang, C., Chen, H., Luo, J., Ma, N., Li, Z., Zeng, X. C. & Fan, J., 28 Nov 2024, In: Journal of Physical Chemistry Letters. 15, 47, p. 11792-11800
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Phase field modeling of dendrite growth mechanism of Mg and Li in electrodeposition
Xiong, Y. (Co-first Author), Yan, B. (Co-first Author), Li, Q., Zhi, C. & Fan, J., 30 Mar 2024, In: Journal of Power Sources. 597, 234162.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Revealing the Adsorption Behavior of Nitrogen Reduction Reaction on Strained Ti₂CO₂ by a Spin-Polarized d-band Center Model
Zhang, Y., Wang, Y., Ma, N., Liang, B., Xiong, Y. & Fan, J., 1 Mar 2024, In: Small. 20, 9, 2306840.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
30 Link opens in a new tab Citations (Scopus)
Theoretical regulating the M-site composition of Janus MXenes enables the tailoring design for highly active bifunctional ORR/OER catalysts
Luo, S., Ma, N., Zhao, J., Wang, Y., Zhang, Y., Xiong, Y. & Fan, J., 10 Nov 2024, In: Journal of Materials Science & Technology. 199, p. 145-155
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
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Theoretical regulating the T-site composition of Janus MXenes achieving efficient bifunctional ORR/OER catalysts
Luo, S., Ma, N., Zhao, J., Zhang, Y., Wang, Y., Xiong, Y. & Fan, J., 20 Sept 2024, In: Electrochimica Acta. 499, 13 p., 144712.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
6 Link opens in a new tab Citations (Scopus)
The Role of MXene Surface Terminations on Peptide Transportation in Nanopore Sensing
Chen, H., Huang, C., Liao, Z., Ma, X. & Fan, J., 11 Apr 2024, In: Journal of Physical Chemistry Letters. 15, 14, p. 3900-3906
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Unveiling the importance of surface ionization on desalination and ion-sieving performance of graphene oxide membranes
Ma, X., Zhu, X., Wang, T., Si, T. & Fan, J., 9 Aug 2024, In: Separation and Purification Technology. 341, 126930.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
11 Link opens in a new tab Citations (Scopus)
2023
B₅N₃ as a potential high-capacity electrode material for calcium ion batteries
Xiong, Y. (Co-first Author), Ma, N. (Co-first Author), Wang, Y., Wang, T., Luo, S. & Fan, J., 14 May 2023, In: Physical Chemistry Chemical Physics. 25, 18, p. 12854-12862
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Cu₄@C₂N for effective electrochemical CO₂ reduction and intermediates dependent adsorption behaviours: A computational study
Wang, Y., Ma, N., Zhang, Y., Liang, B. & Fan, J., 30 Jul 2023, In: Applied Surface Science. 626, 157126.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Distinct roles of graphene and graphene oxide nanosheets in regulating phospholipid flip-flop
Zhu, X., Huang, C., Li, N., Ma, X., Li, Z. & Fan, J., May 2023, In: Journal of Colloid and Interface Science. 637, p. 112-122
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
6 Link opens in a new tab Citations (Scopus)
Establishing an orbital-level understanding of active origins of heteroatom-coordinated single-atom catalysts: The case of N₂ reduction
Zhang, Y., Wang, Y., Ma, N., Li, Y., Liang, B., Luo, S. & Fan, J., 15 Nov 2023, In: Journal of Colloid and Interface Science. 650, Part A, p. 961-971
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
25 Link opens in a new tab Citations (Scopus)
Exploring the potential of MXene nanoslit for water desalination through molecular dynamics simulations
Ma, X., Zhu, X., Huang, C. & Fan, J., 15 Jun 2023, In: Desalination. 556, 116560.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
35 Link opens in a new tab Citations (Scopus)
First-Principles Study of FeB₂ Monolayers as High-Capacity Electrode Materials for Mg-Ion Batteries
Luo, S., Zhao, J., Wang, Y., Zhang, Y., Xiong, Y., Ma, N. & Fan, J., 6 Jul 2023, In: The Journal of Physical Chemistry C. 127, 26, p. 12484-12491
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Improvement of desalination performance by adjusting the arrangement of lamellar MXene membrane
Si, T., Ma, X., Wang, T., Chu, S. T. & Fan, J., 1 Oct 2023, In: Separation and Purification Technology. 322, 124265.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
21 Link opens in a new tab Citations (Scopus)
Machine learning-assisted exploration of the intrinsic factors affecting the catalytic activity of ORR/OER bifunctional catalysts
Ma, N., Zhang, Y., Wang, Y., Huang, C., Zhao, J., Liang, B. & Fan, J., 15 Aug 2023, In: Applied Surface Science. 628, 157225.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Molecular mechanisms of integrin αvβ8 activation regulated by graphene, boron nitride and black phosphorus nanosheets
Liao, Z., Ma, X., Kai, J.-J. & Fan, J., Feb 2023, In: Colloids and Surfaces B: Biointerfaces. 222, 113139.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
5 Link opens in a new tab Citations (Scopus)
S-functionalized 2D V₂B as a promising anode material for rechargeable lithium ion batteries
Wang, Y., Ma, N., Zhang, Y., Liang, B., Zhao, J. & Fan, J., 7 Feb 2023, In: Physical Chemistry Chemical Physics. 25, 5, p. 4015-4024
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Synergistically boosting the anchoring effect and catalytic activity of MXenes as bifunctional electrocatalysts for sodium-sulfur batteries by single-atom catalyst engineering
Li, N., Zhan, Y., Wu, H., Fan, J. & Jia, J., 14 Feb 2023, In: Nanoscale. 15, 6, p. 2747-2755
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
29 Link opens in a new tab Citations (Scopus)
Theoretical design toward highly efficient single-atom catalysts for nitrogen reduction by regulating the “acceptance-donation” mechanism
Zhang, Y., Ma, N., Wang, Y., Liang, B. & Fan, J., 30 Jun 2023, In: Applied Surface Science. 623, 156827.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Two Detection Modes of Nanoslit Sensing Based on Planar Heterostructure of Graphene/Hexagonal Boron Nitride
Huang, C., Li, Z., Zhu, X., Ma, X., Li, N. & Fan, J., 28 Feb 2023, In: ACS Nano. 17, 4, p. 3301–3312
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
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2022
Covalent surface modification of bifunctional two-dimensional metal carbide MXenes as sulfur hosts for sodium–sulfur batteries
Li, N., Zhan, Y., Wu, H., Fan, J. & Jia, J., 7 Dec 2022, In: Nanoscale. 14, 45, p. 17027-17035
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
28 Link opens in a new tab Citations (Scopus)
Exploring the potential of Ti₂BT₂ (T = F, Cl, Br, I, O, S, Se and Te) monolayers as anode materials for lithium and sodium ion batteries
Wang, Y., Ma, N., Liang, B. & Fan, J., 15 Sept 2022, In: Applied Surface Science. 596, 153619.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
39 Link opens in a new tab Citations (Scopus)
First-principles screening of Pt doped Ti₂CNL (N = O, S and Se, L = F, Cl, Br and I) as high-performance catalysts for ORR/OER
Ma, N., Wang, Y., Zhang, Y., Liang, B., Zhao, J. & Fan, J., 15 Sept 2022, In: Applied Surface Science. 596, 153574.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
58 Link opens in a new tab Citations (Scopus)
Molecular insights into geometric and electrophoretic effects on DNA translocation speed through graphene nanoslit sensor
Huang, C., Zhu, X., Li, Z., Ma, X., Li, N., Luo, J. & Fan, J., May 2022, In: Carbon. 191, p. 415-423
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
11 Link opens in a new tab Citations (Scopus)
Molecular insights into the resistance of phospholipid heads to the membrane penetration of graphene nanosheets
Li, Z., Zhu, X., Li, J., Zhong, J., Zhang, J. & Fan, J., 14 Apr 2022, In: Nanoscale. 14, 14, p. 5384-5391
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
15 Link opens in a new tab Citations (Scopus)
New phases of MBenes M₂B (M = Sc, Ti, and V) as high-capacity electrode materials for rechargeable magnesium ion batteries
Ma, N., Wang, T., Li, N., Li, Y. & Fan, J., 1 Jan 2022, In: Applied Surface Science. 571, 151275.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
65 Link opens in a new tab Citations (Scopus)
N-functionalized Ti₂B MBene as high-performance anode materials for sodium-ion batteries: A DFT study
Liang, B., Ma, N., Wang, Y., Wang, T. & Fan, J., 15 Oct 2022, In: Applied Surface Science. 599, 153927.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
73 Link opens in a new tab Citations (Scopus)
Revealing the effects of terminal groups of MXene on the water desalination performance
Ma, X., Zhu, X., Huang, C. & Fan, J., 5 Apr 2022, In: Journal of Membrane Science. 647, 120334.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
77 Link opens in a new tab Citations (Scopus)
Strain adjustment Pt-doped Ti₂CO₂ as an efficient bifunctional catalyst for oxygen reduction reactions and oxygen evolution reactions by first-principles calculations
Ma, N., Li, N., Zhang, Y., Wang, T., Zhao, J. & Fan, J., 15 Jul 2022, In: Applied Surface Science. 590, 153149.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
37 Link opens in a new tab Citations (Scopus)
Strain engineering in the oxygen reduction reaction and oxygen evolution reaction catalyzed by Pt-doped Ti₂CF₂
Ma, N., Li, N., Wang, T., Ma, X. & Fan, J., 21 Jan 2022, In: Journal of Materials Chemistry A. 10, 3, p. 1390-1401
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
56 Link opens in a new tab Citations (Scopus)
Theoretical design of high-performance halogen anion batteries with MXene electrodes: influence of functional groups, metals, and anions
Zhao, J., Ma, N., Wang, T., Li, N., Wang, Y. & Fan, J., 28 Oct 2022, In: Journal of Materials Chemistry A. 10, 40, p. 21611–21621
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Work function regulation of surface-engineered Ti₂CT₂ MXenes for efficient electrochemical nitrogen reduction reaction
Zhang, Y., Ma, N., Wang, T. & Fan, J., 21 Sept 2022, In: Nanoscale. 14, 35, p. 12610-12619
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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2021
Computational insights into modulating the performance of MXene based electrode materials for rechargeable batteries
Li, N. & Fan, J., 18 Jun 2021, In: Nanotechnology. 32, 25, 252001.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
45 Link opens in a new tab Citations (Scopus)