Faculty Profiles - PAN Ding | The Hong Kong University of Science and Technology

2024 3

Benzo-Extended Heli(aminoborane)s: Inner Rim BN-Doped Helical Molecular Carbons with Remarkable Chiroptical Properties

Journal of the American Chemical Society, v. 146, (32), August 2024, p. 22600-22611
Yu, Yang; Wang, Chang; Hung, Faan-Fung; Chen, Chen; Pan, Ding; Che, Chi-Ming; Liu, Junzhi
Article

Imaging surface structure and premelting of ice Ih with atomic resolution

Nature, v. 630, (8016), June 2024, p. 375-380
Hong, Jiani; Tian, Ye; Liang, Tiancheng; Liu, Xinmeng; Song, Yizhi; Guan, Dong; Yan, Zixiang; Guo, Jiadong; Tang, Binze; Cao, Duanyun; Guo, Jing; Chen, Ji; Pan, Ding; Xu, Li-Mei; Wang, En-Ge; Jiang, Ying
Article

Polarized local excitons assist charge dissociation in Y6-based nonfullerene organic solar cells: a nonadiabatic molecular dynamics study

Journal of Materials Chemistry A, v. 12, (26), May 2024, p. 15974-15983
Liu, Bin; Chow, Philip C. Y.; Liu, Junzhi; Pan, Ding
Article

2023 3

Highly active hydrogen evolution facilitated by topological surface states on a Pd/SnTe heterostructure

Cell Reports Physical Science, v. 4, (4), April 2023, article number 101332
Qu, Qing; Liu, Bin; Lau, Wing Sum; Pan, Ding; Sou, Iam Keong
Article

Raman and IR spectra of water under graphene nanoconfinement at ambient and extreme pressure-temperature conditions: a first-principles study

Faraday Discussions, v. 249, August 2023, p. 181-194
Hou, Rui; Li, Chu; Pan, Ding
Article

Truncated atomic plane wave method for subband structure calculations of moiré systems

Physical Review B, v. 107, (12), March 2023, article number 125112
Miao, Wangqian; Li, Chu; Han, Xu; Pan, Ding; Dai, Xi
Article

2022 7

Band Alignment Engineering by Twist Angle and Composition Modulation for Heterobilayer

Small, v. 18, (29), June 2022, article number 2202229
Kang, Ting; Jin, Zijing; Han, Xu; Liu, Yong; You, Jiawen; Wong, Hoi Lun; Liu, Hongwei; Pan, Jie; Liu, Zhenjing; Tang, Tsz Wing; Zhang, Kenan; Wang, Jun; Yu, Junting; Li, Dong; Pan, Anlian; Pan, Ding; Wang, Jiannong; Liu, Yuan; Luo, Zhengtang
Article

Bridging the gap between atomically thin semiconductors and metal leads

Nature Communications, v. 13, (1), April 2022, article number 1777
Cai, Xiangbin; Wu, Zefei; Han, Xu; Chen, Yong; Xu, Shuigang; Lin, Jiangxiazi; Han, Tianyi; He, Pingge; Feng, Xuemeng; An, Liheng; Shi, Run; An, Liheng; Ying, Zhehan; Cai, Yuan; Hua, Mengyuan; Liu, Junwei; Pan, Ding; Cheng, Chun; Wang, Ning
Article

Full atomistic mechanism study of hydrogen evolution reaction on Pt surfaces at universal pHs: Ab initio simulations at electrochemical interfaces

Electrochimica Acta, v. 425, September 2022, article number 140709
Qin, Xueping; Zhu, Shangqian; Wang, Yian; Pan, Ding; Shao, Minhua
Article

Nanoconfinement Facilitates Reactions of Carbon Dioxide in Supercritical Water

Nature Communications, v. 13, (1), October 2022, article number 5932
Stolte, Nore; Hou, Rui; Pan, Ding
Article

Raman Spectra of Hydrocarbons Under Extreme Conditions of Pressure And Temperature: A First-Principles Study

Journal of Physics D-Applied Physics, v. 55, (4), 2022, article number 044003
Hou, Rui; Pan, Ding
Article

Slow Hole Transfer Kinetics Lead to High Blend Photoluminescence of Unfused A–D–A′–D–A-Type Acceptors with Unfavorable Highest Occupied Molecular Orbitals Offset

Solar RRL, April 2022, article number 2200169
Zou, Xinhui; Yu, Han; Qi, Zhenyu; Liu, Bin; Xing, Zengshan; Chan, Christopher Chang Sing; Chow, Philip C. Y.; Pan, Ding; Yan, He; Wong, Kam Sing
Article

Thiol-functionalized Zr metal-organic frameworks for efficient removal of Fe³⁺ from water

Cell Reports Physical Science, v. 3, (3), March 2022, article number 100783
Yuan, Yufei; Yu, Junting; Chen, Huanhuan; Bang, Ki Taek; Pan, Ding; Kim, Yoonseob
Article

2021 4

Beyond Conformational Control: Effects of Noncovalent Interactions on Molecular Electronic Properties of Conjugated Polymers

JACS Au, v. 1, (12), December 2021, p. 2182-2187
Liu, Bin; Rocca, Dario; Yan, He; Pan, Ding
Article

Role of Topological Surface States and Mirror Symmetry in Topological Crystalline Insulator SnTe as an Efficient Electrocatalyst

Nanoscale, v. 13, (43), 27 October 2021, p. 18160-18172
Qu, Qing; Liu, Bin; Liu, Hongtao; Liang, Jing; Wang, Jiannong; Pan, Ding; Sou, Iam Keong
Article

The Lightest 2D Nanomaterial: Freestanding Ultrathin Li Nanosheets by In Situ Nanoscale Electrochemistry

Small, 1 July 2021, article number 2101641
Sun, Muhua; Stolte, Nore; Wang, Jianlin; Wei, Jiake; Chen, Pan; Xu, Zhi; Wang, Wenlong; Pan, Ding; Bai, Xuedong
Article

Water-Gas Shift Reaction Produces Formate at Extreme Pressures and Temperatures in Deep Earth Fluids

Journal of Physical Chemistry Letters, v. 12, (17), May 2021, p. 4292-4298
Stolte, Nore; Yu, Junting; Chen, Zixin; Sverjensky, Dimitri A.; Pan, Ding
Article

2020 5

A first principles method to determine speciation of carbonates in supercritical water

Nature Communications, v. 11, (1), January 2020, article number 421
Pan, Ding; Galli, Giulia
Article

Dielectric constant of supercritical water in a large pressure-temperature range

Journal of Chemical Physics, v. 153, (10), 14 September 2020, article number 101103
Hou, Rui; Quan, Yuhui; Pan, Ding
Article

Discriminating High-Pressure Water Phases Using Rare-Event Determined Ionic Dynamical Properties

Chinese Physics Letters, v. 37, (4), April 2020, article number 043101
Zhuan, Lin; Ye, Qijun; Pan, Ding; Li, Xin-Zheng
Article

Expediting Hydrogen Evolution through Topological Surface States on Bi₂Te₃

ACS Catalysis, v. 10, (4), February 2020, p. 2656-2666
Qu, Qing; Liu, Bin; Liang, Jing; Li, Hui; Wang, Jiannong; Pan, Ding; Sou, Iam Keong
Article

Tuning the Performance of Aqueous Organic Redox Flow Batteries via First-Principles Calculations

Journal of Physical Chemistry Letters, v. 11, (24), December 2020, p. 10433-10438
Yu, Junting; Zhao, Tianshou; Pan, Ding
Article

2019 5

Aqueous Proton-selective Conduction Across Two-dimensional Graphyne

Nature Communications, v. 10, (1), March 2019, article number 1165
Shi, Le; Xu, Ao; Pan, Ding; Zhao, Tianshou
Article

Effects of Hexagonal Boron Nitride Encapsulation on the Electronic Structure of Few-Layer MoS₂

Journal of Physical Chemistry C, v. 123, (23), June 2019, p. 14797-14802
Han, Xu; Lin, Jiangxiazi; Liu, Junwei; Wang, Ning; Pan, Ding
Article

Interface charge-transfer induced intralayer excited-state biexcitons in graphene/WS₂ van der Waals heterostructures

Nanoscale, v. 11, (28), July 2019, p. 13552-13557
Li, Yang; Stolte, Nore; Li, Baikui; Li, Hui; Cheng, Guanghui; Pan, Ding; Wang, Jiannong
Article

Intramolecular π-stacked Perylene-diimide Acceptors for Non-fullerene Organic Solar Cells

Journal of Materials Chemistry A, v. 7, (14), April 2019, p. 8136-8143
Zhang, Jianquan; Bai, Fujin; Li, Yunke; Hu, Huawei; Liu, Bin; Zou, Xinhui; Yu, Han; Huang, Jiachen; Pan, Ding; Ade, Harald W.; Yan, He
Article

Large Presence of Carbonic Acid in CO₂-Rich Aqueous Fluids under Earth’s Mantle Conditions

Journal of Physical Chemistry Letters, v. 10, (17), September 2019, p. 5135-5141
Stolte, Nore; Pan, Ding
Article

2018 5

Ab Initio Spectroscopy and Ionic Conductivity of Water Under Earth Mantle Conditions

Proceedings of the National Academy of Sciences of the United States of America, v. 115, (27), July 2018, p. 6952-6957
Rozsa, Viktor; Pan, Ding; Giberti, Federico; Galli, Giulia
Article

Bandgap Engineering of InSe Single Crystals through S Substitution

Crystal Growth and Design, v. 18, (5), May 2018, p. 2899-2904
Li, Hui; Han, Xu; Pan, Ding; Yan, Xin; Wang, Huanwen; Wu, Changming; Cheng, Guanghui; Zhang, Huachen; Yang, Shuo; Li, Baikui; He, Hongtao; Wang, Jiannong
Article

Carboxylate substitution position influencing polymer properties and enabling non-fullerene organic solar cells with high open circuit voltage and low voltage loss

Journal of Materials Chemistry A, v. 6, (35), September 2018, p. 16874-16881
Liu, Jingjing; Ma, Lik Kuen; Sheong, Fu Kit; Zhang, Lin; Hu, Huawei; Zhang, Jingxuan; Zhang, Jianquan; Li, Zhengke; Ma, Chao; Han, Xu; Pan, Ding; Ade, Harald; Ma, Wei; Yan, He
Article

Communication: Dielectric properties of condensed systems composed of fragments

Journal of Chemical Physics, v. 149, (5), August 2018, article number 051101
Pan, Ding; Govoni, Marco; Galli, Giulia A.
Article

Sterically Controlled Mechanochemistry Under Hydrostatic Pressure

Nature, v. 554, (7693), February 2018, p. 505-510
Yan, Hao; Yang, Fan; Pan, Ding; Lin, Yu; Hohman, J. Nathan; Solis-ibarra, Diego; Li, Fei Hua; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Tkachenko, Boryslav A.; Fokin, Andrey A.; Schreiner, Peter R.; Galli, Giulia; Mao, Wendy L.; Shen, Zhi-Xun; Melosh, Nicholas A.
Article

2017 1

Ring-Fusion of Perylene Diimide Acceptor Enabling Efficient Nonfullerene Organic Solar Cells with a Small Voltage Loss

Journal of the American Chemical Society, v.139, (45), November 2017, p. 16092-16095
Zhang, Jianquan; Li, Yunke; Huang, Jiachen; Hu, Huawei; Zhang, Guangye; Ma, Tingxuan; Chow, Chi Yung Philip; Ade, Harald; Pan, Ding; Yan, He
Article

2016 3

The fate of carbon dioxide in water-rich fluids under extreme conditions

Science Advances, v. 2, (10), October 2016, article number e1601278
Pan, Ding; Galli, Giulia
Article

Ab initio Raman spectroscopy of water under extreme conditions

Bulletin of the American Physical Society, v. 61, (2), March 2016, article number K21.00001, Abstract ID: BAPS.2016.MAR.K21.1
Rozsa, Viktor; Pan, Ding; Wan, Quan; Galli, Giulia
Conference paper

Dissolved carbon in extreme conditions characterized by first principles simulations

Bulletin of the American Physical Society, v. 61, (2), March 2016, article number K21.00004, Abstract ID: BAPS.2016.MAR.K21.4
Pan, Ding; Galli, Giulia
Conference paper

2015 2

Tetrahedrally coordinated carbonates in Earth’s lower mantle

Nature Communications, v. 6, February 2015, article number 6311
Boulard, Eglantine; Pan, Ding; Galli, Giulia A.; Liu, Zhenxian; Mao, Wendy L.
Article

Tetrahedrally bonded carbonates and aqueous carbonate anions under extreme conditions

Bulletin of the American Physical Society, v. 60, (1), March 2015, Session W25, W25.00009
Pan, Ding; Galli, Giulia A.
Conference paper

2014 2

The refractive index and electronic gap of water and ice increase with increasing pressure

Nature Communications, v. 5, May 2014, article number 3919
Pan, Ding; Wan, Quan; Galli, Giulia A.
Article

Dielectric Properties of Water under Extreme Conditions

Bulletin of the American Physical Society, v. 59, (1), March 2014
Pan, Ding
Conference paper

2013 6

A Closer Look at Supercritical Water

Proceedings of the National Academy of Sciences of the United States of America, v. 110, (16), April 2013, p. 6250-6251
Galli, Giulia A.; Pan, Ding
Article

Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth

Proceedings of the National Academy of Sciences of the United States of America, v. 110, (17), April 2013, p. 6646-6650
Pan, Ding; Spanu, Leonardo; Harrison, Brandon; Sverjensky, Dimitri A.; Galli, Giulia A.
Article

Synthesis of Nitrogen-doped Single-walled Carbon Nanotubes and Monitoring of Doping by Raman Spectroscopy

Chinese Physics B, v. 22, (8), August 2013, article number 086101
Wu, Mu-Hong; Li, Xiao; Pan, Ding; Liu, Lei; Yang, Xiao-Xia; Xu, Zhi; Wang, Wen-Long; Sui, Yu; Bai, Xue-Dong
Article

冰表面结构及其物理特性的新探索

Scientia Sinica Physica, Mechanica & Astronomica, v. 43, (10), 2013, p. 1140-1150
Pan, Ding; Wang, Ee Ge; Sun, Zhaoru; Xu, Limei
Article

Dielectric Properties of Water under Extreme Conditions

Pan, Ding; Spanu, Leonardo; Harrison, Brandon; Sverjensky, Dimitri A.; Galli, Giulia A.
Conference paper

Dielectric Properties of Water under Pressure and Solubility of Minerals in the Earth’s Mantle

Pan, Ding
Conference paper

2012 2

Dispersion of single walled carbon nanotubes in amidine solvents

Nanotechnology, v. 23, (34), 2012, August, Article number 344011
Barman, Soumendra N.; Pan, Ding; Vosgueritchian, Michael; Zoombelt, Arjan Pieter; Galli, Giulia A.; Bao, Zhenan Zhenan
Article

Role of proton ordering in adsorption preference of polar molecule on ice surface

Proceedings of the National Academy of Sciences of the United States of America, v. 109, (33), 2012, August, p. 13177-13181
Sun, Zhaoru; Pan, Ding; Xu, Limei; Wang, Ee Ge
Article

2011 3

Acetone adsorption on ice investigated by x-ray spectroscopy and density functional theory

Physical Chemistry Chemical Physics, v. 13, (44), 2011, November, p. 19988-19996
Starr, David E.; Pan, Ding; Newberg, John T.; Ammann, Markus; Wang, Ee Ge; Michaelides, Angelos; Bluhm, Hendrik
Article

Large variation of vacancy formation energies in the surface of crystalline ice

Nature Materials, v. 10, (10), 2011, Oct, p. 794-798
Watkins, Matthew Benjamin; Pan, Ding; Wang, Ee Ge; Michaelides, Angelos; Slater, Ben J.; VandeVondele, Joost
Article

Melting the ice: On the relation between melting temperature and size for nanoscale ice crystals

ACS Nano, v. 5, (6), 2011, June, p. 4562-4569
Pan, Ding; Liu, Limin; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge
Article

2010 1

Surface energy and surface proton order of the ice ih basal and prism surfaces

Journal of Physics Condensed Matter, v. 22, (7), 2010, February, Article number 074209
Pan, Ding; Liu, Limin; Tribello, Gareth A.; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge
Article

2008 2

On thin ice: surface order and disorder during pre-melting

Faraday Discussions, v. 141, 2008, p. 277-292
Bishop, Clare L.; Pan, Ding; Liu, Limin; Tribello, Gareth A.; Michaelides, Angelos; Wang, Ee Ge; Slater, Ben J.
Article

Surface energy and surface proton order of ice ih

Physical Review Letters, v. 101, (15), 2008, Oct, Article number 155703
Pan, Ding; Liu, Limin; Tribello, Gareth A.; Slater, Ben J.; Michaelides, Angelos; Wang, Ee Ge
Article

2006 1

Influence of gouy phase shift on thz time- domain spectroscopy

IRMMW-THz 2006 - 31st International Conference on Infrared and Millimeter Waves and 14th International Conference on Terahertz Electronics, 2006, Article number 4222489, p. 547
Yang, Yuping; Zhang, Zhenwei; Pan, Ding; Wang, Li
Conference paper

MSDM5001	Introduction to Computational and Modeling Tools
MSDM6771	Data-Driven Modeling Seminars and Tutorials
NANO5130	Computational Energy Materials and Electronic Structure Simulations
PHYS4080	Physics Seminar and Tutorial II
PHYS5120	Computational Energy Materials and Electronic Structure Simulations

CHEM4689	Capstone Project
MSDM6771	Data-Driven Modeling Seminars and Tutorials
PHYS4090A	Directed Studies in Physics III

MSDM5001	Introduction to Computational and Modeling Tools
MSDM6771	Data-Driven Modeling Seminars and Tutorials
PHYS5120	Computational Energy Materials and Electronic Structure Simulations

Research Interest

Publications

2024 3

2023 3

2022 7

2021 4

2020 5

2019 5

2018 5

2017 1

2016 3

2015 2

2014 2

2013 6

2012 2

2011 3

2010 1

2008 2

2006 1

Article 3

Article 3

Article 7

Article 4

Article 5

Article 5

Article 5

Article 1

Article 1

Conference paper 2

Article 1

Conference paper 1

Article 1

Conference paper 1

Article 4

Conference paper 2

Article 2

Article 3

Article 1

Article 2

Conference paper 1

2018 5

2017 1

2016 3

2015 2

2014 2

2013 6

2012 2

2011 3

2010 1

2008 2

2006 1

Teaching Assignment

Research Postgraduate (RPG) Supervision

From January 2021 to December 2024 (As of 21 November 2024)

Current RPGs

Graduated RPGs

Projects

From January 2022 to December 2024

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