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PROFESSIONAL PREPARATION
Ph.D. in Applied Physics, Harvard University (2006)
Thesis Title: First principles studies of interface interactions and their implications for heterogeneous catalysis and novel electronic devices
Master of Science in Applied Mathematics, Harvard University (2001)
BA Honors (1st-class) in Mathematics, University of Cambridge (2000)
PROFESSIONAL EXPERIENCE
National University of Singapore (July 2022-present)
Vice Dean (Outreach), NUS College
National University of Singapore (July 2021-June 2022)
Assistant Dean (Special Duties), Faculty of Science
National University of Singapore (Jan 2021-present)
Associate Professor with tenure,
Department of Physics and Centre for Advanced 2D Materials
National University of Singapore (May 2019-present)
Faculty Member, NUS Graduate School - Integrative Sciences and Engineering Programme
National University of Singapore (April 2016-present)
Faculty Member, Department of Materials Science & Engineering (courtesy appointment)
National University of Singapore (Aug 2013-Dec 2020)
Assistant Professor (tenure track with two years tenure clock extension for childbirth), Department of Physics and Centre for Advanced 2D Materials
Institute of High Performance Computing (Apr 2013-Aug 2013)
IHPC Independent Investigator, Senior Scientist, Materials Science and Engineering
Institute of High Performance Computing (Jan 2011-Apr 2013)
IHPC Independent Investigator, Scientist, Materials Science and Engineering
Lawrence Berkeley National Laboratory, USA (Oct 2006-Nov 2010)
Visiting Post-Doctoral Fellow, Molecular Foundry Theory Facility
AWARDS AND FELLOWSHIPS
NUS Physics Breakthrough of the Year Award (2021)
Platform for Exciton Condensation and Multiplication”, Nano Letters, 21, 8888 (2021)
Institute of Physics Singapore Nanotechnology Physics Medal and Prize 2016 for outstanding Nano-Physics research done in Singapore
Best Paper Award, Institute of High Performance Computing, Materials Science and Engineering (2015)
National Research Foundation Fellowship (2013) - Awarded annually by the Singapore National Research Foundation to attract young, promising and passionate researchers in various fields of science and technology
National Science Scholarship (2001-2006) - Awarded by the Agency for Science, Technology and Research, for Ph.D. studies
President’s Scholarship, Singapore (1997-2001)
- Awarded annually in Singapore, by the Singapore Public Service Commission, to students who have demonstrated, beyond academic ability and excellence in co-curricular activities, a strong ethos of public service, soundness of character and the potential to lead
Elected Christ’s College Bachelor Scholar (2000)
John Whelan Prize in Mathematics (1998-2000)
Christ’s College Scholarship (1998-2000)
- The above three prizes/scholarships were awarded by the University of Cambridge for academic excellence
Cambridge Commonwealth Trust Scholarship (1997-2000)
Awards obtained by group members
PhD student He Wen: Best Poster Award at 10th Conference of Asian Consortium on Computational Materials Science (ACCMS-10), Hong Kong, July 22 – July 26, 2019 (Talk title: “Mechanisms of surface-enhanced Raman Effect on monolayer h-BN”, Award money: 1000 HKD)
Post-doc Qiao Jingsi: Best Flash-talk Presentation Award at 10th Conference of Asian Consortium on Computational Materials Science (ACCMS-10), Hong Kong, July 22 – July 26, 2019 (Talk title: “Charge Doping and Strain Effects on the Charge Density Wave and Superconducting Properties of H-TaS2”, Award money: 1000 HKD)
RESEARCH GRANTS
Institute of High Performance Computing Independent Investigatorship, 2011 – 2013
National Research Foundation Fellowship S$2.9million, 2013 – 2019
National Research Foundation Competitive Research Programme, S$300,000 (co-PI), 2016-2021
Ministry of Education Tier 2 Grant, S$589,700, 2017 – 2020
Ministry of Education Tier 2 Grant, S$140,000 (co-PI), 2018 – 2021
Ministry of Education Tier 3 Grant, S$550,000 (co-PI), 2019 – 2024
RESEARCH STATEMENT
I lead a computation and theory group working on interdisciplinary topics spanning physics, chemistry and materials science. Our versatile toolkit includes many-electron GW methods, density functional theory, tight-binding approaches, and parametrized models. In recent years, our research has focused on the electronic structure and lattice dynamics of two-dimensional (2D) materials and their heterostructures.
We have been very successful in creating impact through strong collaborations with experimental groups. Not only has our theoretical work led to key insights not available in the experiments, but also, several of our theoretical predictions have been confirmed by experiments. At present, we have a total of six published research papers that are theory-led collaborations with experimentalists.
We are also active in advancing methodologies in order to address research problems of experimental relevance. These include the development of GW-based approaches for energy level alignment in large interface systems, and resonant Raman calculations for heterostructures.
INVITED PRESENTATIONS
Invited Talk, International workshop on Sustainable Materials, Jan 11, 2023, “Data-driven discovery of 2D materials for Energy Harvesting Applications”
Invited Talk, IUPAP 33rd Conference on Computational Physics, August 1 – August 4, 2022, “Data-driven discovery of NbOI2 as a high performance layered van der Waals piezoelectric”
Invited Talk, International Conference on Materials for Humanity, July 5 – July 8, 2021, “Valleytronics, Quantum Photonics and Spintronics in Two-Dimensional Transition Metal Dichalcogenides”
Invited Talk, Virtual Graphene and Beyond Workshop 2021, May 12 – May 14, 2021, “Bottom-up Design of 2D Material Functionalities from First Principles”
Invited Talk, 2021 Materials Research Society Spring Meeting, Seattle, USA (virtual meeting), April 19 – April 23, 2021, “Landau Levels and Energy Level Alignment
for 2D Valleytronics and Spintronics”
Invited Presentation, Centre for Advanced 2D Materials Homely Atmosphere Online Seminar, 15 Dec 2020, “Fascinating Flatland – A First Principles Perspective”
Invited Presentation, Pennsylvania State University Department of Chemistry Seminar, Nov 19, 2020, “Fascinating Flatland – A First Principles Perspective”
Keynote Talk, International Conference on Raman Spectroscopy, Rome, Italy, August 2 – August 7, 2020 (declined due to COVID-19 pandemic)
Invited Talk, OCPA10 (10th Joint Meeting of Chinese Physicists and Astronomers Worldwide), June 27 – June 30, 2020 (cancelled due to COVID-19 pandemic)
Invited Talk, Electronic Structure and Processes at Molecular-Based Interfaces 10, Sweden, June 22 – June 25, 2020 (declined and cancelled due to COVID-19 pandemic)
Invited Talk, Center for 2D and Layered Materials and 2D Crystal Consortium 2020 Graphene and Beyond Workshop, State College, USA, May 13 – May 15, 2020 (cancelled due to COVID-19 pandemic)
Invited Talk (given by Kanchan Ulman), Asian Consortium on Computational Materials Science International Conference on Materials Genome, India, Feb 5 – Feb 7, 2020, “Understanding the chemical enhancement mechanism of 2D substrate enhanced Raman Spectroscopy (2D-SERS)” (SYQ invited, declined)
Invited Talk, 2019 Materials Research Society Fall Meeting, Boston, USA, Dec 1 – Dec 6, 2019, “Electronic and Optical Properties of 2D Materials and their Heterostructures”
Invited Talk, 10th Conference of Asian Consortium on Computational Materials Science (ACCMS-10), Hong Kong, July 22 – July 26, 2019, “Energy Level Alignment and Dielectric Screening at Complex Interfaces”
Invited Talk, 10th International Conference on Materials for Advanced Technologies (ICMAT 2019), Singapore, June 23 – June 28, 2019, “Energy Level Alignment at Organic-Inorganic Interfaces from Many-Electron Perturbation Theory”
Invited Talk, 19th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy, Jan 9 – Jan 11, 2019,“Electronic Screening of Quasiparticle Excitations by Atomically Thin Substrates”
Invited Talk, 21st Asian Workshop on First Principles Electronic Structure Calculations, Daejeon, South Korea, Oct 29 – Oct 31, 2018, “Electronic and Optical Properties of 2D-material-based Heterostructures”
Invited Talk, 26th International Conference on Raman Spectroscopy, South Korea, Aug 26 – Aug 31, 2018, “Theoretical Insights into Raman Spectra of 2D Layered Materials and Heterostructures”
Invited Talk, 2017 Materials Research Society Fall Meeting, Boston, USA, Nov 26 – Dec 1, 2017, “Some Counterintuitive Phenomena in 2D Materials Revealed by First Principles Calculations”
Invited Talk, Electronic Structure and Processes at Molecular-Based Interfaces (ESPMI 9), Singapore, Nov 8 – Nov 10, 2017, “Energy Level Alignment at Hybridized Organic-Metal Interfaces: The Role of Many-Electron Effects”
Invited Talk, 9th Conference of Asian Consortium on Computational Materials Science (ACCMS-9), Kuala Lumpur, Aug 8 – Aug 11, 2017, “Energy Level Alignment at Hybridized Organic-Metal Interfaces: The Role of Many-Electron Effects”
Keynote Talk, 10th International Conference on Computational Physics, Macau, Jan 16-20, 2017, “Density Functional Theory Studies of 2D Materials and Their Applications in Next Generation Electronics”
Invited Talk, 10th International Conference on Computational Physics, Macau, Jan 16-20, 2017, “Energy Level Alignment at Organic-Inorganic Interfaces”
Invited Talk, 9th Singapore International Chemistry Conference (SICC-9), National University of Singapore, Singapore, 11-14 Dec 2016, “Interlayer Interactions in 2D Materials: Impact on Vibrational and Electronic Properties”
Invited Talk, 2016 Materials Research Society Fall Meeting, Boston, USA, Nov 27 – Dec 2, 2016, “Energy Barriers and Contact Resistances in 2D Materials: First Principles Calculations and Experiment”
Invited Talk, 19th Asian Workshop on First-Principles Electronic Structure Calculations, Taiwan, Oct 31 – Nov 2, 2016, “Origins of Contact Resistance in Nanoscale Junctions”
Invited Talk, IUMRS-International Conference on Electronic Materials (ICEM), Singapore, July 2016, “Energy Level Alignments in Van der Waals Heterostructures”
Invited Talk, 8th Conference of Asian Consortium on Computational Materials Science (ACCMS-8), Taipei, June 2015, “Quantum-confinement and Structural Anisotropy result in Electrically-Tunable Dirac Cone in Few-layer Black Phosphorous – Importance of interlayer interactions beyond van der Waals”
Invited Talk, The 9th International Conference on Computational Physics, Jan 7-11 2015, “Graphene Nanoribbon Junctions: Perfect Molecular Wire + Spin Valve”
Invited Talk, The OCPA8 International Conference on Physics Education and Frontier Physics, June 2014. “Insights into Charge and Spin Transport through Single-Molecule Junctions - a DFT+Sigma approach”
Invited Talk, 9th Singapore-China Joint Symposium on Research Frontiers in Physics, June 2012. “Probing Interlayer and Surface Effects in 2D transition metal dichalcogenides using Raman Spectroscopy: A first principles study”
Invited Talk, 15th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-15), Taipei, November 2012. “Prediction of Anomalous Length-Independent Resonant Transmission Peaks in Nanostructured Armchair Graphene Nanoribbon Junctions”
Invited Talk, The 6th Conference of the Asian Consortium on Computational Materials Science, Singapore, September 2011. “Length Dependence of Conductance and Thermopower in Aromatic Single-Molecule Junctions: First Principles Calculations and Comparison with Experiment”
Invited Talk, International Conference on Materials for Advanced Technologies, Singapore, June 2011. “First Principles Studies of Single-molecule Junctions: Conductance, Thermopower and Mechanically-controlled Switching”
Invited Talk, American Physical Society Meeting, New Orleans, Louisiana, March 2008. “Understanding the Conductance of Single-Molecule Junctions from First Principles”
Invited Talk, Molecular Conduction Workshop, Purdue University, July 2007. “Amine-Gold Linked Single-Molecule Junctions: First-Principles Calculations and Comparison to Experiment”
PUBLICATIONS
h-index: 42, Total citations: 7004 (from Google Scholar Dec 2023)
90. K. Noori, F. Xuan, S. Y. Quek*, “Origin of contact polarity at metal-2D transition metal dichalcogenide interfaces”, npj 2D materials and applications, 6, 73 (2022)
89. Z. Wang, Z. Wang, X. Zhou, W. Fu, H. Li, C. Liu, J. Qiao, S. Y. Quek, C. Su, Y. Feng, K. P. Loh, “Giant g-factor in self-intercalated 2D TaS2”, Small, 18, 2201975 (2022)
88. Y. Lei, T. Zhang, Y.-C. Lin, T. Granzier-Nakajima, G. Bepete, D. A. Kowalczyk, Z. Lin, D. Zhou, T. F. Schranghamer, A. Dodda, A. Sebastian, Y. Chen, Y. Liu, G. Pourtois, T. J. Kempa, B. Schuler, M. T. Edmonds, S. Y. Quek, U. Wurstbauer, S. M. Wu, N. R. Glavin, S. Das, S. P. Dash, J. M. Redwing, J. A. Robinson, M. Terrones, “Graphene and Beyond: Recent Advances in Two-Dimensional Materials Synthesis, Properties, and Devices”, ACS Nanoscience Au, 2, 450 (2022)
87. Z. Zhang, H. Liang, L. Loh, Y. Chen, Y. Chen, K. Watanabe, T. Taniguchi, S. Y. Quek, M. Bosman, A. A. Bettiol, G. Eda, “Optically Active Chalcogen Vacancies in Monolayer Semiconductors”, Advanced Optical Materials, 2201350 (2022)
86. W. He, M. T. Wetherington, K. A. Ulman, J. A. Robinson and S. Y. Quek*,”Interface-Mediated Resonant Raman Enhancement for Shear Modes in a 2D Polar Metal”, J. Phys. Chem. C, 126, 14581 (2022) [invited contribution, part of The Journal of Physical Chemistry virtual special issue “Cynthia Friend Festschrift”]
85. I. Abdelwahab, B. Tilmann, Y. Wu, D. Giovanni, I. Verzhbitskiy, M. Zhu, R. Berte, F. Xuan, L. de S Menezes, G. Eda, T. C. Sum, S. Y. Quek, S. A. Maier and K. P. Loh, “Giant second-harmonic generation in ferroelectric NbOI2”, Nature Photonics, 16, 644 (2022)
84. S. M. Reed-Lingerfelter, Y. Chen, M. Yarali, D. J. Charboneau, J. B. Curley, D. J. Hynek, M. Wang, N. L. Williams, N. Hazari, S. Y. Quek and J. J. Cha, “Compact Super Electron-Donor to Monolayer MoS2”, Nano Letters, 22, 4501 (2022)
83. W. He, M. T. Wetherington, K. A. Ulman, J. L. Gray, J. A. Robinson and S. Y. Quek*, “Shear Modes in a 2D Polar Metal”, J. Phys. Chem. Lett., 13, 4015 (2022) [April 2022]
82. Y. Wu, I. Abdelwahab, K. C. Kwon, I. Berzhbitskiy, L. Wang, W. H. Liew, K. Yao, G. Eda, K. P. Loh*, L. Shen* and S. Y. Quek*, “Data-driven discovery of high performance layered van der Waals piezoelectric NbOI2”, Nature Communications, 13, 1884 (2022)
81. X. Zhao, J. Qiao, X. Zhou, H. Chen, J. Y. Tan, H. Yu, S. M. Chan, J. Li, H. Zhang, J. Zhou, J. Dan, Z. Liu, W. Zhou, Z. Liu, B. Peng, L. Deng, S. J. Pennycook, S. Y. Quek and K. P. Loh, “Strong Moiré Excitons in High-Angle Twisted Transition Metal Dichalcogenide Homobilayers with Robust Commensuration”, Nano Letters, 22, 203 (2022)
80. F. Xuan and S. Y. Quek*, “Valley-filling instability and critical magnetic field for interaction-enhanced Zeeman response in doped WSe2 monolayers”, npj Computational Materials, 7, 198 (2021)
79. M. A. Steves, S. Rajabpour, K. Wang, C. Dong, W. He, S. Y. Quek, J. A. Robinson, K. L. Knapperberger, Jr, “Atomic-Level Structure Determines Electron-Phonon Scattering Rates in 2-D Polar Metal Heterostructures”, ACS Nano 17780, 15 (2021)
78. K. Ulman and S. Y. Quek*, “Organic-2D Material Heterostructures: A Promising Platform for Exciton Condensation and Multiplication”, Nano Letters, 21, 8888 (2021)
77. Y. Chen and S. Y. Quek*, “Photophysical Characteristics of Boron Vacancy-Derived Defect Centers in Hexagonal Boron Nitride”, Journal of Physical Chemistry C, 125, 21791 (2021)
76. S. Rajabpour, A. Vera, W. He, B. N. Katz, R. J. Koch, M. Lassauniere, X. Chen, C. Li, K. Nisi, H. El-Sherif, M. T. Wetherington, C. Dong, A. Bostwick, C. Jozwiak, A. C. T. van Duin, N. Bassim, J. Zhu, G.-C. Wang, U. Wurstbauer, E. Rotenberg, V. Crespi, S. Y. Quek, and J. A. Robinson, “Tunable 2D Group-III Metal Alloys”, Advanced Materials, 2104265 (2021) [Sept 2021]
75. N. L. Q. Cheng, F. Xuan, C. D. Spataru, and S. Y. Quek*, “Charge Transfer Screening and Energy Level Alignment at Complex Organic-Inorganic Interfaces: A Tractable Ab Initio GW Approach”, J. Phys. Chem. Lett., 12, 8841 (2021) [Sep 2021]
74. T. Yin, K. A. Ulman, S. Liu, A. G. del Aguila, Y. Huang, L. Zhang, M. Serra, D. Sedmidubsky, Z. Sofer, S. Y. Quek*, Q. Xiong*, “Chiral Phonons and Giant Magneto-Optical Effect in CrBr3 2D Magnet”, Advanced Materials, 2101618 (2021)
73. L. Loh, Y. Chen, J. Wang, X. Yin, C.S. Tang, Q. Zhang, K. Watanabe, T. Taniguchi, A.T.S. Wee, M. Bosman, S.Y. Quek, and G. Eda, “Impurity-Induced Emission in Re-Doped WS2 Monolayers”, Nano Letters, 21, 5293 (2021) [Publication Date:June 11, 2021]
72. S. Liu, Y. Wu, X. Liu, A.G. del Aguila, F. Xuan, A. Chaturvedi, H. Zhang, S.Y. Quek*, Q. Xiong, “Light-matter interactions in high quality manganese-doped two-dimensional molybdenum diselenide”, Science China Materials 64, 2507 (2021)
71. X. Zhao, J. Qiao, S.M. Chan, J. Li, J. Dan, S. Ning, W. Zhou, S.Y. Quek*, S. J. Pennycook, K.P. Loh, “Unveiling Atomic-Scale Moiré Features and Atomic Reconstructions in High-Angle Commensurately Twisted Transition Metal Dichalcogenide Homobilayers”, Nano Letters, 21, 3262 (2021)
70. M. Yarali, Y. Zhong, S.N. Reed, J. Wang, K.A. Ulman, D.J. Charboneau, J.B. Curley, D.J. Hynek, J.V. Pondick, S. Yazdani, N. Hazari, S.Y. Quek, H. Wang, J. J. Cha, “Near-Unity Molecular Doping Efficiency in Monolayer MoS2”, Advanced Electronic Materials, 7, 2000873 (2021) [~Jan2021] MOE Tier 2 acknowledged
69. K. Noori, S.Y. Quek, A. Rodin, “Hydrogen adatoms on graphene: The role of hybridization and lattice distortion”, Physical Review B, 102, 195416 (2020)
68. X. Li, H-S. Xu, K. Leng, S.W. Chee, X. Zhao, N. Jain, H. Xu, J. Qiao, Q. Gao, I.-H. Park, S.Y. Quek, U. Mirsaidov, K.P. Loh, “Partitioning the interlayer space of covalent organic frameworks by embedding pseudorotaxanes in their backbones”, Nature Chemistry, 12, 1115 (2020) [Nov 2020]
67. C. Qian, W. Zhu, J. Qiao, D. Wang, X. Li, W. L. Teo, X. Shi, H. Wu, J. Di, H. Wang, G. Liu, L. Gu, J. Liu, L. Feng, Y. Liu, S. Y. Quek, K.P. Loh, Y. Zhao, “Linkage Engineering by Harnessing Supramolecular Interactions to Fabricate 2D Hydrazone-Linked Covalent Organic Framework Platforms toward Advanced Catalysis”, J. Am. Chem. Soc., 142, 18138 (2020) [Oct 2020]
66. R. Xu, F. Xuan, S. Y. Quek*, “Spin-Dependent Tunneling Barriers in CoPc/VSe2 from Many-Body Interactions”, J. Phys. Chem. Lett., 11, 9358 (2020) [Oct 2020]
65. K. Nisi, S. Subramanian, W. He, K. A. Ulman, H. El-Sherif, F. Sigger, M. Lassaunière, M. T. Wetherington, N. Briggs, J. Gray, A. W. Holleitner, N. Bassim, S. Y. Quek*, J. A. Robinson*, U. Wurstbauer*, “Light-Matter Interaction in Quantum Confined 2D Polar Metals”, Advanced Functional Materials, 2005977 (2020) [Sept/Oct 2020]
64. J. Wang, S. Y. Quek*, “Isolated Flat Bands and Physics of Mixed Dimensions in a 2D Covalent Organic Framework”, Nanoscale, 12, 20279 (2020) [July 2020]
63. F. Xuan, S. Y. Quek*, “Valley Zeeman Effect and Landau Levels in Two-Dimensional Transition Metal Dichalcogenides”, Physical Review Research, 2, 033256 (2020)
62. X. Li, J. Qiao, S. Y. Quek, K. P. Loh, “The Origin of Dual Emission in Antiparallel Stacked Two-dimensional Covalent Organic Frameworks”, ACS Materials Letters, 6, 654 (2020) [May 2020]
61. W. Fu, J. Qiao, X. Zhao, Y. Chen, D. Fu, W. Yu, K. Leng, P. Song, Z. Chen, T. Yu, S. J. Pennycook, S. Y. Quek*, K.P. Loh*, “Room Temperature Commensurate Charge Density Wave on Epitaxially grown Bilayer 2H-Tantalum Sulfide on Hexagonal Boron Nitride”, ACS Nano 14, 3917 (2020) [Feb 2020]
60. K. Noori, H. Biswas, S.Y. Quek, A. Rodin, “Graphene-mediated interaction between hydrogen adsorbates”, Physical Review B, 101, 115421 (2020)
59. X. Li, J. Qiao, S.W. Chee, H.-S. Xu, X. Zhao, H.S. Choi, W. Yu, S.Y. Quek, U. Mirsaidov, K. P. Loh, “Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking”, Journal of the American Chemical Society, 142, 4932 (2020) [Feb 2020]
58. F. Xuan, Y. Chen, S. Y. Quek*, “Quasiparticle Levels at Large Interface Systems from Many-Body Perturbation Theory: The XAF-GW Method”, Journal of Chemical Theory and Computation, 15, 3824 (2019)
57. K. Noori, N. L. Q. Cheng, F. Xuan and S. Y. Quek*, “Dielectric screening by 2D substrates”, 2D Materials 6, 035036 (2019)
56. Y. J. Zheng, Y. Chen, Y. L. Huang, P. K. Gogoi, M.-Y. Li, L.-J. Li, P. E. Trevisanutto, Q. Wang, S. J. Pennycook*, A. T. S. Wee*, S. Y. Quek*, “Point Defects and Localized Excitons in 2D WSe2”, ACS Nano 13, 6050 (2019)
55. Y. Chen and S. Y. Quek*, “Tunable bright interlayer excitons in few-layer black phosphorus based van der Waals heterostructures”, 2D Materials 5, 045031 (2018)
54. X. Li, Q. Gao, J. Wang, Y. Chen, Z.-H. Chen, H.-S. Xu, W. Tang, K. Leng, G.-H. Ning, J. Wu, Q.-H. Xu, S. Y. Quek, Y. Lu, K. P. Loh*, “Tuneable near white-emissive two-dimensional covalent organic frameworks”, Nature Communications 9, 2335 (2018)
53. S. Tan, S. Sarkar, X. Zhao, X. Luo, Y. Z. Luo, S. M. Poh, I. Abdelwahab, W. Zhou, T. Venkatesan, W. Chen*, S. Y. Quek*, K. P. Loh*, “Temperature and Phase-dependent Phonon Renormalization in 1T’-MoS2”, ACS Nano 12, 5051 (2018)
52. Y. L. Huang*, Y. J. Zheng, Z. Song, D. Chi, A. T. S. Wee*, S. Y. Quek*, “The organic-2D transition metal dichalcogenide interface”, Chemical Society Reviews 47, 3241 (2018)
51. S. L. Wang, X. Luo, X. Zhou, Y. Zhu, X. Chi, W. Chen, K. Wu, Z. Liu, S. Y. Quek*, G. Xu*, “Fabrication and Properties of a Free-Standing Two-dimensional Titania”, Journal of the American Chemical Society, 139, 15414 (2017)
50. A. Avsar, J. Y. Tan, X. Luo, K. H. Khoo, Y. Yeo, K. Watanabe, T. Taniguchi, S. Y. Quek*, B. Özyilmaz*, “van der Waals Bonded Co/h-BN Contacts to Ultrathin Black Phosphorus Devices”, Nano Letters,9, 5361 (2017)
49. X. Yin, Q. Wang, L. Cao, C. S. Tang, X. Luo, Y. Zheng, L. M. Wong, S. J. Wang, S. Y. Quek, W. Zhang, A. Rusydi, A.T.S. Wee, “Tunable inverted gap in monolayer quasi-metallic MoS2 induced by strong charge-lattice coupling”, Nature Communications, 8, 486 (2017)
48. Y. Chen, I. Tamblyn, S. Y. Quek*, “Energy Level Alignment at Hybridized Organic-Metal Interfaces: The Role of Many-Electron Effects”, J Phys Chem C, 121, 13125 (2017)
47. J. Wang, X. Luo, S. Li, I. Verzhbitskiy, W. Zhao, S. Wang, S.Y. Quek, G. Eda, “Determination of Crystal Axes in Semimetallic T’-MoTe2 by Polarized Raman Spectroscopy”, Advanced Functional Materials, 27, 1604799 (2017)
46. W. Liu, X. Luo, Y. Bao, Y. P. Liu, G.-H. Ning, I. Abdelwahab, L. Li, C. T. Nai, Z. G. Hu, D. Zhao, B. Liu, S. Y. Quek* and K. P. Loh*, “A Two-dimensional Conjugated Aromatic Polymer via C-C Coupling Reaction”, Nature Chemistry, 9, 563 (2017)
45. K. H. Khoo, W. S. Leong, J. T. L. Thong* and S. Y. Quek*, “Origin of Contact Resistance at Ferromagnetic Metal-Graphene Interfaces”, ACS Nano, 10, 11219 (2016)
44. X. Lu, X. Luo, J. Zhang, S. Y. Quek* and Q. Xiong*, “Lattice vibrations and Raman scattering in two-dimensional layered materials beyond graphene”, Nano Research, 9, 12 (2016)
43. Y. L. Huang*, Z. Ding, W. Zhang, Y.-H. Chang, Y. Shi, L.-J. Li, Z. Song, Y. J. Zheng, D. Chi, S. Y. Quek* and A. T. S. Wee*,“Gap States at Low-Angle Grain Boundaries in Monolayer Tungsten Diselenide”, Nano Lett 16, 3682 (2016)
42. K. K. Amara, Y. Chen, Y.-C. Lin, R. Kumar, E. Okunishi, K. Suenaga*, S. Y. Quek* and G. Eda*, “Dynamic Structural Evolution of Metal-Metal Bonding Network in Monolayer WS2”, Chemistry of Materials, 28, 2308 (2016)
41. Y. J. Zheng, Y. L. Huang, Y. Chen, W. Zhao, G. Eda, C. D. Spataru, W. Zhang, Y.-H. Chang, L.-J. Li, D. Chi, S. Y. Quek* and A. T. S. Wee*, “Heterointerface Screening Effects Between Organic Monolayers and Monolayer Transition Metal Dichalcogenides”, ACS Nano, 10, 2476 (2016)
40. S. L. Wong, K. H. Khoo, S. Y. Quek* and A. T. S. Wee*, “Graphene Nanomesh Formation by Fluorine Intercalation”, Journal of Physical Chemistry C, 119, 29193 (2015)
39. X. Luo, X. Lu, C. Cong, T. Yu, Q. Xiong, S. Y. Quek*, “Stacking sequence determines Raman intensities of observed interlayer shear modes in 2D layered materials – A general bond polarizability model”, Scientific Reports 5, 14565 (2015)
38. X. Lu, M. I. B. Utama, J. Lin, X. Luo, Y. Zhao, J. Zhang, S. T. Pantelides, W. Zhou, S. Y. Quek, Q. Xiong, “Rapid and Nondestructive Identification of Polytypism and Stacking Sequences in Few-Layer Molybdenum Diselenide”, Advanced Materials, 27, 4502 (2015)
37. K. Dolui and S. Y. Quek*, “Quantum-confinement and Structural Anisotropy result in Electrically-Tunable Dirac Cone in Few-layer Black Phosphorous”, Scientific Reports 5, 11699 (2015)
36. W. S. Leong, Y. Li, X. Luo, C. T. Nai, S. Y. Quek* and J. T. L. Thong*, “Tuning the Threshold Voltage of MoS2 Field-Effect Transistors via Surface Treatment”, Nanoscale, 7, 10823 (2015)
35. X. Luo, X. Lu, G. K. W. Koon, A. H. Castro Neto, B. Özyilmaz*, Q. Xiong*, and S. Y. Quek*, “Large Frequency Change with Thickness in Interlayer Breathing Mode - Significant Interlayer Interactions in Few Layer Black Phosphorus”, Nano Letters, 15, 3931 (2015)
34. W. L. Chow, X. Luo, S. Y. Quek* and B. K. Tay*, “Evolution of Raman Scattering and Electronic Structure of Ultrathin Molybdenum Disulfide by Oxygen Chemisorption”, Advanced Electronic Materials 1, 1400037 (2015)
33. Y. L. Huang, Y. Chen, W. Zhang, S. Y. Quek*, C.-H. Chen, L.-J. Li, W.-T. Hsu, W.-H. Chang, Y. J. Zheng, W. Chen and A. T. S. Wee*, “Bandgap Tunability at Single-layer Molybdenum Disulphide Grain Boundaries”, Nature Communications 6, 6298 (2015)
32. S. Li, C. K. Gan, Y.-W. Son, Y. P. Feng and S. Y. Quek*, “Low-bias Negative Differential Resistance effect in armchair graphene nanoribbon junctions”, Applied Physics Letters 106, 013302 (2015)
31. K. H. Khoo, Y. Chen, S. Li, and S. Y. Quek*,“Length Dependence of Electron Transport through Molecular Wires: A First-Principles Perspective”, Physical Chemistry Chemical Physics 17, 77 (2015)
30. W. S. Leong, X. Luo, Y. Li, K. H. Khoo, S. Y. Quek* and J. T. L. Thong*, “Low Resistance Metal Contacts to MoS2 Devices with Nickel-Etched-Graphene Electrodes”, ACS Nano 9, 869 (2014)
29. S. Li, Y.-W. Son and S. Y. Quek*,“Large magnetoresistance from long-range interface coupling in armchair graphene nanoribbon junctions”, Applied Physics Letters 105, 242413 (2014)
28. Y. Zhao, X. Luo, J. Zhang, J. Wu, X. Bai, M. Wang, J. Jia, H. Peng, Z. Liu, S. Y. Quek*, and Q. Xiong*, “Interlayer Vibrational Modes in Few-Quintuple Layer Bi2Te3 and Bi2Se3 2D Crystals: Raman Spectroscopy and First Principles Studies”, Physical Review B 90, 245428 (2014)
27. A. Batra, G. Kladnik, N. Gorjizadeh, J. Meisner, M. Steigerwald, C. Nuckolls, S. Y. Quek*, D.Cvetko, A. Morgante* and L. Venkataraman*, “Trimethyltin mediated gold-carbon bond formation”, Journal of the American Chemical Society, 136, 12556 (2014)
26. M. Yankowitz, J. I-J. Wang, S. Li, A. G. Birdwell, Y-A. Chen, K. Watanabe, T. Taniguchi, S. Y. Quek, P. Jarillo-Herrero and B. J. Leroy, “Band Structure Mapping of Bilayer Graphene via Quasiparticle Scattering”, APL Materials 2, 092503 (2014)
25. S. Y. Quek* and K. H. Khoo, “Predictive DFT-Based Approaches to Charge and Spin Transport in Single-Molecule Junctions and Two-Dimensional Materials: Successes and Challenges”, Accounts of Chemical Research, 47, 3250 (2014) (invited review)
24. S. Li, C. K. Gan, Y.-W. Son, Y. P. Feng and S. Y. Quek*, “Anomalous length-independent frontier resonant transmission peaks in armchair graphene nanoribbon molecular wires”, Carbon 76, 285 (2014)
23. Wen Huang, Xin Luo, Chee Kwan Gan, S. Y. Quek* and Gengchiau Liang*, Theoretical study of thermoelectric properties of few-layer MoS2 and WSe2, Physical Chemistry Chemical Physics 16, 10866 (2014)
22. V. Sorkin, H. Pan, H. Shi, S. Y. Quek and Y. W. Zhang, “Nanoscale Transition Metal Dichalcogenides: Structures, Properties and Applications”, Critical Reviews in Solid State and Materials Sciences, 39, 319 (2014)
21. T. Kim, P. Darancet, J. R. Widawsky, M. Kotiuga, S. Y. Quek, J. B. Neaton, and L. Venkataraman, “Determination of Energy Level Alignment and Coupling Strength in 4,4’-Bipyridine Single-Molecule Junctions”, Nano Lett, 14, 794 (2014)
20. X. Luo, Y. Zhao, J. Zhang, M. Toh, C. Kloc, Q. Xiong*, and S. Y. Quek*, “Effects of Lower Symmetry and Dimensionality on Raman Spectra in Two-Dimensional WSe2”, Physical Review B, 88, 195313 (2013)
19. N. Gorjizadeh and S. Y. Quek*, “Interface Effects on Tunneling Magnetoresistance in Organic Spintronics with Flexible amine-Au Links”, Nanotechnology, 24, 415201 (2013)
18. X. Luo, Y. Zhao, J. Zhang, Q. Xiong*, and S. Y. Quek*, “Anomalous Frequency Trends in MoS2 Thin Films Attributed to Surface Effects”, Physical Review B, 88, 075320 (2013)
17. Y. Zhao, X. Luo, H. Li, J. Zhang, P. A. T. Araujo, C. K. Gan, H. Zhang*, S. Y. Quek*, M. S. Dresselhaus, and Q. Xiong*, “Interlayer breathing and shear modes in few-trilayer MoS2 and WSe2”, Nano Letters 13, 1007 (2013)
16. X. Luo, M. Sullivan and S. Y. Quek*, “First Principles Investigations of the Atomic, Electronic, and Thermoelectric Properties of Equilibrium and Strained Bi2Se3 & Bi2Te3, with van der Waals Interactions”, Physical Review B 86, 184111(2012)
15. I. Tamblyn, P. Darancet, S.Y. Quek, S.A. Bonev, and J.B. Neaton, “Electronic energy level alignment at metal-molecule interfaces with a GW approach”, Physical Review B, 84, 201402 (R) (2011)
14. S.Y. Quek, H.J. Choi, S.G. Louie, and J.B. Neaton, “Thermopower of Amine-Gold Linked Aromatic Molecular Junctions from First Principles”, ACS Nano, 5 (1) 551 (2011)
13. M. Dell’Angela, G. Kladnik, A. Cossaro, A. Verdini, M. Kamenetska, I. Tamblyn, S.Y. Quek, J.B. Neaton, D. Cvetko, A. Morgante, L. Venkataraman, “Relating Energy Level Alignment and Amine-Linked Molecular Junction Conductance”, Nano Letters, 10 (7) 2470 (2010)
12. M. Kamenetska, S.Y. Quek, A.C. Whalley, M.L. Steigerwald, H.J. Choi, S.G. Louie, C. Nuckolls, M.S. Hybertsen, J.B. Neaton, L. Venkataraman, “Conductance and Geometry of Pyridine-Linked Single Molecule Junctions”, Journal of the American Chemical Society, 132 (19), 6817 (2010)
11. S.Y. Quek, H.J. Choi, S.G. Louie, and J.B. Neaton, “Length Dependence of Conductance in Aromatic Single-Molecule Junctions”, Nano Letters, 9 (11), 3949 (2009)
10. S.Y. Quek, M. Kamenetska, M.L. Steigerwald, H.J. Choi, S.G. Louie, M.S. Hybertsen, J. B. Neaton and L. Venkataraman, "Mechanically-Controlled Binary Conductance Switching of a Single-Molecule Junction", Nature Nanotechnology, 4, 230 (2009)
9. Y. Qi, I. Ratera, J.Y. Park, P.D. Ashby, S.Y. Quek, J.B. Neaton, M. Salmeron, “Mechanical and charge transport properties of alkanethiol self-assembled monolayers on Au(111) surface: The Role of Molecular Tilt”, Langmuir, 24, 2219 (2008)
8. X. Deng, S.Y. Quek, M.M. Biener, J. Biener, R. Schalek, E. Kaxiras and C.M. Friend, “Selective thermal reduction of single-layer MoO3 nanostructures on Au(111)”, Surface Science, 602, 1166 (2008)
7. S.Y. Quek, L. Venkataraman, H.J. Choi, S.G. Louie, M.S. Hybertsen and J.B. Neaton, “Amine-Gold Linked Single-Molecule Circuits: Experiment and Theory”, Nano Letters 7, 3477 (2007)
6. S.Y. Quek, M.M. Biener, J. Biener, J. Bhattacharjee, C.M. Friend, U.V. Waghmare and E. Kaxiras, “Structure of incommensurate gold sulfide monolayer on Au(111)”, Journal of Chemical Physics 127, 104704 (2007)
5. S.Y. Quek, J.B. Neaton, M.S. Hybertsen, E. Kaxiras and S.G. Louie, “Negative Differential Resistance in Transport through Organic Molecules on Silicon”, Physical Review Letters 98, 066807 (2007)
4. S.Y. Quek, M.M. Biener, J. Biener, J. Bhattacharjee, C.M. Friend, U.V. Waghmare and E. Kaxiras, “Rich co-ordination chemistry of Au adatoms in gold sulfide monolayer on Au(111)”, Journal of Physical Chemistry B 110(32), 15663 (2006)
3. S.Y. Quek, J.B. Neaton, M.S. Hybertsen, E. Kaxiras and S.G. Louie, “First-principles studies of the electronic structure of cyclopentene monolayers on Si(001): Density functional theory and GW calculations”, Physica Status Solidi (b) 243, 2048 (2006)
2. S.Y. Quek, C.M. Friend and E. Kaxiras, “Active role of buried ultrathin oxide structures in adsorption of O-2 on Au films”, Surface Science 600, 3388 (2006)
1. S.Y. Quek, M.M. Biener, J. Biener, C.M. Friend and E. Kaxiras, “Tuning electronic properties of novel metal oxide nanocrystals using interface interactions: MoO3 monolayers on Au(111)”, Surface Science 577, L71 (2005)
Book Chapters
2. S. Chintalapati, X. Luo and S. Y. Quek, “Raman Signatures of Surface and Interface Effects in Two-Dimensional Layered Materials: Theoretical Insights”, Book Chapter in “Raman Spectroscopy of Two-Dimensional Materials”, Edited by Ping-Heng Tan, Springer 2019
1. S.Y. Quek and E. Kaxiras, “Applications of Thin Film Oxides in Catalysis”, Book Chapter in “Thin Film Metal-oxides: Fundamentals and Applications in Electronics and Energy”, Edited by Ramanathan, Shriram, Springer (2010)
SERVICE
Judge, World Scientific Publishing Company-Imperial College Alumni Association of Singapore Most Outstanding Junior College Science Student Award 2022 (The selected top student will represent Singapore at the Stockholm International Youth Science Seminar (SIYSS) which will be held in December 2022, in conjunction with the Nobel Prize Presentation Ceremony.)
Co-organizer, 2D Materials Symposium, Materials Research Society 2022 Spring Meeting (Beyond Graphene 2D Materials - Synthesis, Properties and Device Applications), May 8-13, 2022, with Zak Al Balushi, Olga Kazakova, and Hyeon-Jin Shin
Member, Editorial Advisory Board for ACS Physical Chemistry Au (August 2021 to present)
Foreign expert, ‘Program of Introducing Talents of Discipline of Universities’ (‘111 Plan Project’), Chongqing University, 2020 - present
Member, Materials Research Laboratory NUS Working Committee, 2018
Member, Proposal Evaluation Board, Center for Nanoscale Materials, Argonne National Laboratory, USA, March 2018-Present
Co-organizer, 2D Materials Symposium, Materials Research Society 2019 Spring Meeting (2D Layered Materials Beyond Graphene: Theory, Discovery and Design), April 22-26, 2019, with Xiaofeng Qian, Qimin Yan, Kristian Sommer Thygesen
Member, NUS Department of Physics Curriculum Committee, 2017-present
Member, Local Organizing Committee, and Technical Chair, Symposium Organizer, Third International Conference on Two-Dimensional Materials and Technology (ICON-2DMAT), Dec 2017
Member, NUS-IHPC Partnership Committee, Representative for Faculty of Science, July 2015
Member, Local Organizing Committee, The 9th International Conference on Computational Physics, Jan 2015
Co-organizer, Symposium on Status of Women in Physics, OCPA8 International Conference on Physics Education and Frontier Physics, June 2014
Member, International Advisory Board, 4th International Conference “Mass, Charge and Spin Transport in Inorganic Materials” in the 6th Forum on New Materials, CIMTEC, June 2014
Member and Secretary, “Key Performance Indicators 2020 Taskforce”, Science and Engineering Research Council, Agency for Science, Technology and Research, 2012
Service as a reviewer for: ACS Nano, Nano Letters, Nature Communications, Nature Nanotechnology, NPJ Computational Materials, NPJ 2D Materials, Materials Horizons, Nanoscale, Science Advances, Journal of the American Chemical Society, Advanced Materials, 2D Materials, ACS Applied Nanomaterials, ACS Applied Energy Materials, ACS Physical Chemistry Au, Journal of Physical Chemistry, Journal of Chemical Physics, Chemistry of Materials, Journal of Physical Chemistry Letters, Journal of Raman Spectroscopy, New Journal of Physics, Applied Physics Letters, AIP Advances, International Journal of Modern Physics B, Journal of Materials Chemistry A, Materials Chemistry and Physics, Physica E, International Journal of Computational Materials Science and Engineering, Scientific Reports, Optics Express, Journal of Physics: Condensed Matter, FlatChem, Surfaces
Proposal reviewer for US Department of Energy, US National Science Foundation
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