PUBLICATIONS

2025

44. Flexible, nonfused sulfone functionalized polymer with enhanced active site access for photocatalytic sacrificial hydrogen evolution

Tse- Fu Huang, Kuei-Jhong Lin, Ying- Rang Zhuang , Yu- En Sun, Wei-Cheng Lin, Chun-Hao Li, Chien-Cheng Lin, En-Chi Chang, Chih- Li Chang, Yung-Ching Liu, Ling-Yu Hsu, Bing-Heng Li, Wan- Ling Chang, Pimjai Pimbaotham, Cheng-Yun Bai, Wei- Hsiang Huang, Dung Chau Kim Hoang, Khanh Do Gia Huynh, Yi-Chan Huang, Chao-Yan Chung, Mohamed M. Elsenety, Chia-An Chang, Hsin-Ni Huang, Siriporn Jungsuttiwong, Chih-Wen Pao, Hsin- Lung Chen, Tien- Lin Wu, Chia-Chih Chang, Bo-Han Chen, Shang- Da Yang, Kun-Han Lin*, Ho-Hsiu Chou*, Science Advances 2025, 11, eadx1629. [link]

43. High performance anion exchange membrane water electrolysis driven by atomic scale synergy of non-precious high entropy catalysts

Chiung-Wen Chang , Yu-Chieh Ting , Fan-Yu Yen , Guan-Ru Li , Kun-Han Lin* , Shih-Yuan Lu*

Energy Materials 2025, 5, 500117. [link]

42. Atomically Mixed High‐Entropy‐Alloy Nanoframes with 3D Subnanometer‐Thick Electrocatalytic Surfaces

Chih‐Yi Lin, Zong Ying He, Jui‐Tai Lin, Chun‐Wei Chang, Yueh‐Chun Hsiao, Shang‐Cheng Lin, Yi Chen, Yu‐Mei Huang, Shin‐Chiao Lee, Chih‐Wen Pao, Kun‐Han Lin, Alexander J Cowan, Tung‐Han Yang*

Advanced Functional Materials 2025, Early View. [link]

41. Spectroscopic and Theoretical Insights Into High-Entropy-Alloy Surfaces and Their Interfaces with Semiconductors for Enhanced Photocatalytic Hydrogen Production

Jui-Tai Lin, Yueh-Chun Hsiao, Chao Li, Tseng Ching-Yuan, Zong-Ying He, Adrian Gardner, Yi Chen, Chueh-Cheng Yang, Chia-Hsin Wang, Shang-Cheng Lin, Xin-Xuan Lin, Chih-Yi Lin, Kun-Han Lin, Alexander Cowan*, Tung-Han Yang*

Small 2025, Early View. [link]

40. Linear and cyclic multi-dithienylethene molecules: Synthesis, photochromism, photothermal conversion, and computational study

Hong-Kai Chang, Chia-Chi Huang, Pin-Rong Wu, Kun-Han Lin*, Masaki Horie*

Materials Today Chemistry 2025, 45, 102663. [link]

39. Chemical looping of catalytic methane decomposition with reverse Boudouard reaction using dual functional Ni-FeOx nanoparticle cluster for CO2-negative H2 production

Chien-Wei Wu, Zhi Xuan Law, Yu-Chun Zeng, Kun-Han Lin, De-Hao Tsai*

Chemical Engineering Journal 2025, 162067. [link]

2024

38. Optimally Miscible Polymer Bulk-Heterojunction-Particles for Nonsurfactant Photocatalytic Hydrogen Evolution

Wei-Cheng Lin, Yu-En Sun, Ying-Rang Zhuang, Tse-Fu Huang, Kuei-Jhong Lin, Mohamed M Elsenety, Jui-Chen Yen, Hung-Kai Hsu, Bo-Han Chen, Chen-Yu Chang, Je-Wei Chang, Hsin-Ni Huang, Bing-Heng Li, Siriporn Jungsuttiwong, Toton Haldar, Shin-Huei Wang, Wan-Chi Lin, Tien-Lin Wu, Chin-Wen Chen, Chi-Hua Yu, An-Chung Su, Kun-Han Lin*, U-Ser Jeng*, Shang-Da Yang*, Ho-Hsiu Chou*

Journal of the American Chemical Society 2025, 147, 2357. [link]

37. Unconventional Hexagonal Close-Packed High-Entropy Alloy Surfaces Synergistically Accelerate Alkaline Hydrogen Evolution

Ting-Hsin Hu, Cheng-Yu Wu, Zong Ying He, Yi Chen, Liang-Ching Hsu, Chih-Wen Pao, Jui-Tai Lin, Chun-Wei Chang, Shang-Cheng Lin, Rachel Osmundsen, Lee Casalena, Kun Han Lin, Shan Zhou, Tung-Han Yang*

Advanced Science 2024, 2409023. [link]

36. Efficient integration of calcium looping with methane Bi-reforming using Pd-enhanced Ni-CaO dual functional nanomaterials

Zhi Xuan Law, Kun-Han Lin*, De-Hao Tsai*

Chemical Engineering Journal 2024, 157302. [link]

35. Predicting Molecular Ordering in Deposited Molecular Films

Christoph Scherer, Naomi Kinaret, Kun‐Han Lin, Muhammad Nawaz Qaisrani, Felix Post, Falk May, Denis Andrienko*

Advanced Energy Materials 2024, 2403124. [link]

34. A catalyst family of high-entropy alloy atomic layers with square atomic arrangements comprising iron- and platinum-group metals

Cheng-Yu Wu, Yueh-Chun Hsiao, Yi Chen, Kun-Han Lin, Tsung-Ju Lee, Chong-Chi Chi, Jui-Tai Lin, Liang-Ching Hsu, Hsin-Jung Tsai, Jia-Qi Gao, Chun-Wei Chang, I-Ting Kao, Chia-Ying Wu, Ying- Rui Lu , Chih-Wen Pao, Sung-Fu Hung, Ming-Yen Lu, Shan Zhou, Tung- Han Yang*

Science Advances 2024, 10, eadl3693. [link]

33. Symmetry‐breaking of Dibenzo [b, d] thiophene Sulfone Enhancing Polaron Generation for Boosted Photocatalytic Hydrogen Evolution

Wei-Cheng Lin, Yi-Hsiang Wu, Yu-En Sun, Mohamed M Elsenety, Wan-Chi Lin, Jui-Chen Yen, Hung-Kai Hsu, Bo-Han Chen, Hung-Yi Huang, Chia-An Chang, Tse-Fu Huang, Ying-Rang Zhuang, Yuan-Ting Tseng, Kun-Han Lin, Shang-Da Yang, Chi-Hua Yu, Ho-Hsiu Chou* 

Angewandte Chemie 2024, e202407702. [link]

32. Cu/MgO Reverse Water Gas Shift Catalyst with Unique CO2 Adsorption Behaviors

Ding-Huei Tsai, Tung-Ta Wu, Hung-Chin Lin, Lu-Yu Chueh, Kun-Han Lin, Wen-Yueh Yu, Yung-Tin Pan* 

Chemistry – An Asian Journal 2024, e202300955. [link]

31. Decreasing the O2-to-H2O2 Kinetic Energy Barrier on Dilute Binary Alloy Surfaces with Controlled Configurations of Isolated Active Atoms

Shang-Cheng Lin, Chun-Wei Chang, Meng-Hsuan Tsai, Chih-Hao Chen, Jui-Tai Lin, Chia-Ying Wu, I-Ting Kao, Wen-Yang Jao, Chia-Hsin Wang, Wen-Yueh Yu, Chi-Chang Hu, Kun-Han Lin*, Tung-Han Yang* 

Advanced Functional Materials 2024, 2314281. [link]

30. Overcoming small-bandgap charge recombination in visible and NIR-light-driven hydrogen evolution by engineering the polymer photocatalyst structure

Mohamed Hammad Elsayed, Mohamed Abdellah, Ahmed Zaki Alhakemy, Islam M. A. Mekhemer, Ahmed Esmail A. Aboubakr, Bo-Han Chen, Amr Sabbah, Kun-Han Lin, Wen-Sheng Chiu, Sheng-Jie Lin, Che-Yi Chu, Chih-Hsuan Lu, Shang-Da Yang, Mohamed Gamal Mohamed, Shiao-Wei Kuo, Chen-Hsiung Hung, Li-Chyong Chen, Kuei-Hsien Chen and  Ho-Hsiu Chou*

Nature Communications 2024, 15, 707. [link]

2023

29. Controlling the selectivity of the hydrogenolysis of polyamides catalysed by ceria-supported metal nanoparticles

XinBang Wu, Wei-Tse Lee, Roland C. Turnell-Ritson, Pauline C. L. Delannoi, Kun-Han Lin*, Paul J. Dyson*

Nature Communications 2023, 14, 6524. [link]

28. Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors

Andriy Zhugayevych*, Kun-Han Lin, Denis Andrienko

Journal of Chemical Physics 2023, 159, 024107. [link]

27. Elimination of charge-carrier trapping by molecular design

Oskar Sachnik, Xiao Tan, Dehai Dou, Constantin Haese, Naomi Kinaret, Kun-Han Lin, Denis Andrienko, Martin Baumgarten, Robert Graf, Gert-Jan A. H. Wetzelaer, Jasper J. Michels and Paul W. M. Blom*

Nature Materials 2023. [link]

26. Sulfide Oxidation on Ladder-Type Heteroarenes to Construct All-Acceptor Copolymers for Visible-Light-Driven Hydrogen Evolution

Wei‐Cheng Lin, Chih‐Li Chang, Chin‐Hsuan Shih, Wan‐Chi Lin, Ze‐ Yu Lai, Je‐Wei Chang, Li‐Yu Ting, Tse‐Fu Huang, Yu‐En Sun, Hung‐Yi Huang, Yu‐Tung Lin, Jia‐Jen Liu, Yi‐Hsiang Wu, Yuan‐Ting Tseng, Ying‐Rang Zhuang, Bing‐Heng Li, An‐Chung Su, Chi‐Hua Yu, Chin‐Wen Chen, Kun‐Han Lin, U‐Ser Jeng, Ho‐Hsiu Chou*

Small 2023, 2302682. [link]

25. Toward controllable and predictable synthesis of high-entropy alloy nanocrystals

Yi-Hong Liu, Chia-Jui Hsieh, Liang-Ching Hsu, Kun-Han Lin, Yueh-Chun Hsiao,Chong-Chi Chi, Jui-Tai Lin, Chun-Wei Chang, Shang-Cheng Lin, Cheng-Yu Wu, Jia-Qi Gao,Chih-Wen Pao, Yin-Mei Chang, Ming-Yen Lu, Shan Zhou, Tung-HanYang*

Science Advances 2023, 9, eadf9931 [link]

24. Ambipolar charge transport in a non-fullerene acceptor

Franziska H Hasenburg, Kun-Han Lin, Bas van der Zee, Paul WM Blom, Denis Andrienko, Gert-Jan AH Wetzelaer*

APL Materials 2023, 11, 021105 [link]

2022

23. Conjugated Microporous Polymers Incorporating Thiazolo [5, 4-d] thiazole Moieties for Sunlight-Driven Hydrogen Production From Water

Maha Mohamed Samy, Islam MA Mekhemer, Mohamed Gamal Mohamed*, Mohamed Hammad Elsayed, Kun-Han Lin, Yi-Kuan Chen, Tien-Lin Wu, Ho-Hsiu Chou*, Shiao-Wei Kuo*

Chemical Engineering Journal 2022, 446, 137158 [link]

22. Virtual Screening for Organic Solar Cells and Light Emitting Diodes 

Nancy C. Forero-Martinez, Kun-Han Lin, Kurt Kremer and Denis Andrienko*

Advanced Science  2022, 2200825 [link]

2021

21. Virtual Screening of TADF Emitters for Single-Layer OLEDs

Kun-Han Lin*, Gert-Jan A. H. Wetzelaer, Paul W. M. Blom and Denis Andrienko*

Frontier in Chemistry 2021, 9, 1080 [link]

20. Glass transition temperature prediction of disordered molecular solids

Kun-Han Lin*, Leanne Paterson, Falk May, Denis Andrienko*

npj Computational Materials 2021, 7, 1-7 [link]

19. Structure–Property Relationships in Bithiophenes with Hydrogen‐Bonded Substituents

Bilal Özen, Farzaneh Fadaei Tirani, Kurt Schenk, Kun‐Han Lin, Rosario Scopelliti, Clémence Corminboeuf, Holger Frauenrath*

Chemistry–A European Journal 2021, 27, 3348–3360 [link]

18. Chemical Design Rules for Non‐Fullerene Acceptors in Organic Solar Cells

Anastasia Markina, Kun‐Han Lin, Wenlan Liu, Carl Poelking, Yuliar Firdaus, Diego Rosas Villalva, Jafar I Khan, Sri HK Paleti, George T Harrison, Julien Gorenflot, Weimin Zhang, Stefaan De Wolf, Iain McCulloch, Thomas D Anthopoulos, Derya Baran, Frédéric Laquai, Denis Andrienko

Advanced Energy Materials 2021, 11, 2102363 [link]

17. Molecular library of OLED host materials—Evaluating the multiscale simulation workflow

Anirban Mondal, Leanne Paterson, Jaeyoung Cho, Kun-Han Lin, Bas van der Zee, Gert-Jan AH Wetzelaer, Andrei Stankevych, Alexander Vakhnin, Jang-Joo Kim, Andrey Kadashchuk, Paul WM Blom, Falk May, Denis Andrienko

Chemical Physics Reviews 2021, 2, 031304 [link]

16. Catalytic hydrocracking of synthetic polymers into grid-compatible gas streams

Wei-Tse Lee, Felix D Bobbink, Antoine P van Muyden, Kun-Han Lin, Clémence Corminboeuf, Reza R Zamani, Paul J Dyson

Cell Reports Physical Science 2021, 2 , 100332 [link]

15. Is a Single Conformer Sufficient to Describe the Reorganization Energy of Amorphous Organic Transport Materials?

Jacob Terence Blaskovits, Kun-Han Lin, Raimon Fabregat, Iwona Swiderska, Hélène Wu, Clemence Corminboeuf 

J. Phys. Chem. C 2021, 125, 17355–17362 [link]

2020

14. FB-ECDA: Fragment-based Electronic Coupling Decomposition Analysis for Organic Amorphous Semiconductors

Kun-Han Lin, Clémence Corminboeuf

The Journal of Physical Chemistry A 2020, 124, 10624-10634 [link]

13. Molecular Design and Operational Stability: Toward Stable 3D/2D Perovskite Interlayers

Sanghyun Paek, Cristina Roldán‐Carmona, Kyung Taek Cho, Marius Franckevičius, Hobeom Kim, Hiroyuke Kanda, Nikita Drigo, Kun‐Han Lin, Mingyuan Pei, Rokas Gegevičius, Hyung Joong Yun, Hoichang Yang, Pascal A Schouwink, Clémence Corminboeuf, Abdullah M Asiri, Mohammad Khaja Nazeeruddin

Advanced Science 2020, 7, 2001014 [link]

12. Direct Observation of Aggregation‐Induced Emission Mechanism

Jianxin Guan, Rong Wei, Antonio Prlj, Jie Peng, Kun‐Han Lin, Jitian Liu, Han Han, Clémence Corminboeuf, Dahui Zhao, Zhihao Yu, Junrong Zheng

Angewandte Chemie International Edition 2020, 59, 14903-14909 [link]

11. FB-REDA: fragment-based decomposition analysis of the reorganization energy for organic semiconductors

Kun-Han Lin, Clémence Corminboeuf 

Physical Chemistry Chemical Physics 2020, 22, 11881-11890 [link]

2019

10. Doped but stable: spirobisacridine hole transporting materials for hysteresis-free and stable perovskite solar cells

Nikita Drigo, Cristina Roldan-Carmona, Marius Franckevicius, Kun-Han Lin, Rokas Gegevicius, Hobeom Kim, Pascal A Schouwink, Albertus A Sutanto, Selina Olthof, Muhammad Sohail, Klaus Meerholz, Vidmantas Gulbinas, Clemence Corminboeuf, Sanghyun Paek, Mohammad Khaja Nazeeruddin

Journal of the American Chemical Society 2019, 142, 1792-1800 [link]

9. Getting the right twist: influence of donor–acceptor dihedral angle on exciton kinetics and singlet–triplet gap in deep blue thermally activated delayed fluorescence emitter

Sebastian Weissenseel, Nikita A Drigo, Liudmila G Kudriashova, Markus Schmid, Thomas Morgenstern, Kun-Han Lin, Antonio Prlj, Clémence Corminboeuf, Andreas Sperlich, Wolfgang Brütting, Mohammad Khaja Nazeeruddin, Vladimir Dyakonov

The Journal of Physical Chemistry C 2019, 123, 27778-27784 [link]

8. Multiarm and Substituent Effects on Charge Transport of Organic Hole Transport Materials

Kun-Han Lin, Antonio Prlj, Liang Yao, Nikita Drigo, Han-Hee Cho, Mohammad Khaja Nazeeruddin, Kevin Sivula, Clémence Corminboeuf

Chemistry of Materials 2019, 31, 6605-6614 [link]

7. Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTB

Thierry Tran, Antonio Prlj, Kun-Han Lin, Daniel Hollas, Clémence Corminboeuf 

Physical Chemistry Chemical Physics 2019, 21, 9026-9035 [link]

2018

6. Read between the Molecules: Computational Insights into Organic Semiconductors

Ganna Gryn’ova, Kun-Han Lin, Clémence Corminboeuf 

Journal of the American Chemical Society 2018, 140 , 16370-16386 [link]

5. Restriction enzyme analysis of double-stranded DNA on pristine single-walled carbon nanotubes

Shang-Jung Wu, Nils Schuergers, Kun-Han Lin, Alice J Gillen, Clémence Corminboeuf, Ardemis A Boghossian 

ACS applied materials & interfaces 2018, 10 , 37386-37395 [link]

4. How does alkyl chain length modify the properties of triphenylamine-based hole transport materials?

Kun-Han Lin, Antonio Prlj, Clémence Corminboeuf 

Journal of Materials Chemistry C 2018, 6, 960-965  [link]

2017

3. A Rising Star: Truxene as a Promising Hole Transport Material in Perovskite Solar Cells

Kun-Han Lin, Antonio Prlj, Clémence Corminboeuf 

The Journal of Physical Chemistry C 2017, 121, 21729-21739  [link]

2. Lithiation mechanisms and lithium storage capacity of reduced graphene oxide nanoribbons: a first-principles study

Kun-Han Lin, Chin-Lung Kuo 

Journal of Materials Chemistry A 2017, 5, 4912-4922 [link]

2012

1. Microstructure and properties of carbon–sulfur-containing chromium deposits electroplated in trivalent chromium baths with thiosalicylic acid

CW Chien, CL Liu, FJ Chen, KH Lin, CS Lin