Italicized Text after each citation is a short explanation of how that publication relates to the 2DCC Platform mission.
Bold face designates in-house research faculty participants; italics designates senior local users not participating in in-house research, and underlining designates senior external users.
External User Publications (corresponding author is an external user)
- J.R. Shallenberger, C.M. Smyth, R. Addou, R.M. Wallace, “2D Bismuth Telluride analyzed by XPS,” Surface Science Spectra, 26, 024011, (2019). 10.1116/1.5120015
Z. Wu, J. Li, X. Zhang, J.M. Redwing, Y. Zheng “Room-Temperature Active Modulation of Valley Dynamics in a Monolayer Semiconductor through Chiral Purcell Effects,” Advanced Materials, 1904132, (2019). 10.1002/adma.201904132
- P. Li, J. Kally, S.-L. Zhang, T. Pillsbury, J. Ding, G. Csaba, J. Ding, J.S. Jiang, Y. Liu, R. Sinclair, C. Bi, A. DeMann, G. Rimal, W. Zhang, S.B. Field, J. Tang, W. Wang, O.G. Heinonen, V. Novosad, A. Hoffman, N. Samarth, M. Wu, “Magnetization switching using topological surface states,” Science Advances, 5 (8), eaaw3415 (2019). 10.1126/sciadv.aaw3415
- D.J. Pennachio, C.C. Ornelas-Skarin, N.S. Wilson, S.G. Rosenberg, K.M. Daniels, R.L. Myers-Ward, D.K. Gaskill, C.R. Eddy Jr., C.J. Palmstrom, “Tailoring commensurability of hBN/graphene heterostructures using substrate morphology and epitaxial growth conditions,” Journal of Vacuum Science & Tech. A, 37, 51503 (2019). 10.1116/1.5110524
- S. Paul and K. Momeni, “Mechanochemistry of Stable Diamane and Atomically Thin Diamond Films Synthesis from Bi-and Multilayer Graphene: A computational Study,” Journ. Phys. Chem. C, 123, 15751 (2019). 10.1021/acs.jpcc.9b02149
- D.R. Hickey, J.G. Azadani, A.R. Richardella, J.C. Kally, J.S. Lee, H.C. Chang, T. Liu, M.Z. Wu, N. Samarth, "Structure and basal twinning of the topological insulator Bi2Se3 grown by MBE onto crystalline Y3Fe5O12," Physical Review Materials [Rapid Communications] 3, 061201(R) (2019). 10.1103/PhysRevMaterials.3.061201
- W. Wu, C.K. Dass, J.R. Hendrickson, R.D. Montano, X. Zhang, T.H. Choudhury, J.M. Redwing and M.T. Pettes, “Locally defined quantum emission from epitaxial few-layer WSe2,” Appl. Phys. Lett. (2019). 10.1063/1.5091779
Demonstration of quantum emission from strain-localized WSe2 epitaxial films that were grown in the 2DCC thin films facility.
- K. Zhang, Y. Wang, J. Joshi, F. Zhang, S. Subramanian, M. Terrones, P. Vora, V. Crespi, and J.A. Robinson, “Probing the origin of lateral heterogeneities in synthetic monolayer molybdenum disulfide,” 2D Materials 6 (2) 025008 (2019). 10.1088/2053-1583/aafd9a
Joint experiment/theory study of the distribution and the origin of inhomogeneities in monolayer MoS2 of relevance for understanding and optimizing the quality of materials supplied by 2DCC.
- K. Momeni, Y. Ji, K. Zhang, J.A. Robinson, and L-Q. Chen. "Multiscale framework for simulation-guided growth of 2D materials," npj 2D Materials and Applications 2, no. 1 (2018): 27. 10.1038/s41699-018-0072-4
Development of computational tools to simulate CVD growth of 2D materials in conditions relevant to 2DCC.
- X. Ge, M. Minkov, T. Choudhury, M. Chubarov, S. Fan, J. Redwing, X. Li, W. Zhou, “Room Temperature Photonic Crystal Surface Emitting Laser with Synthesized Monolayer Tungsten Disulfide,” IEEE International Semiconductor Laser Conference, 167-168 (2018). 10.1109/ISLC.2018.8516219
Demonstration of lasing with a narrow linewidth from WS2 epitaxial monolayers grown in 2DCC thin films facility and integrated into a silicon nitride photonic crystal cavity.
- X. Zhang, T.H. Choudhury, M. Chubarov, Y. Xiang, B. Jariwala, F. Zhang, N. Alem, G.C. Wang, J.A. Robinson, and J.M. Redwing, “Diffusion-Controlled Epitaxy of Large Area Coalesced WSe2 Monolayers on Sapphire,” Nano Lett., 18(2), 1049–1056 (2018). 10.1021/acs.nanolett.7b04521
Development and study of a multi-step process to grow coalesced epitaxial monolayer 2D chalcogenide films on scalable substrates in collaboration with external user.
- J. Han, A. Richardella, S. S. Siddiqui, J. Finley, N. Samarth, and L. Liu, “Room Temperature Spin-orbit Torque Switching Induced by a Topological Insulator,” Phys. Rev. Lett., 119, 077702 (2017). 10.1103/PhysRevLett.119.077702
Demonstration of spin-orbit torque switching in a topological insulator (TI)-ferrimagnet heterostructure with perpendicular magnetic anisotropy at room temperature. The TI was grown in the 2DCC thin films facility.
Local User Publication (corresponding author is a local user)
- R.C. Haislmaier, Y.F. Lu, J. Lapano, H. Zhou, N. Alem, S.B. Sinnott, R. Engel-Herbert, V. Gopalan, “Large Tetragonality and Room Temperature Ferroelectricity in Compressively Strained CaTiO3 Thin Films,” APL Materials, 7 (5), 051104 (2019). 10.1063/1.5090798
- T.N. Walter, S. Lee, X. Zhang, M. Chubarov, J.M. Redwing, T.N. Jackson, and S.E. Mohney, “Atomic layer deposition of ZnO on MoS2 and WSe2,” Appl. Surface Sci. 480, 43-51 (2019). 10.1016/j.apsusc.2019.02.182 Investigation of ALD growth of ZnO on TMD monolayers grown in the 2DCC thin films facility.
- L. Ding, M.S. Ukhtary, M. Chubarov, T.H. Choudhury, F. Zhang, R. Yang, A. Zhang, J.A. Fan, M. Terrones, J.M. Redwing, T. Yang, M.D. Li, R. Saito, and S.X. Huang, “Understanding interlayer coupling in TMD-hBN heterostructures by Raman spectroscopy,” IEEE Trans. Electron. Dev. 64(10), 4059-4067 (2018). 10.1109/TED.2018.2847230
Investigation and interpretation of interlayer interactions in 2D heterostructures grown in the 2DCC thin films facility by Raman spectroscopy.
- J.R. Shallenberger, “2D tungsten diselenide analyzed by XPS,” Surf. Sci. Spectra 25, 014001 (2018). 10.1116/1.5016189
Development of XPS protocols for the analysis of 2D transition metal dichalcogenides, in concert with and in support of external users.
In-house Research with External User
- N. Briggs, S. Subramanian, Z. Lin, X. Li, X. Zhang, K. Zhang, K. Xiao, D. Geohegan, R. Wallace, L.-Q. Chen, M. Terrones, A. Ebrahimi, S. Das, J. Redwing, C. Hinkle, K. Momeni, A. van Duin, V. Crespi, S. Kar, and J.A. Robinson, “A roadmap for electronic grade 2D materials,” 2D Materials 6 (2), 022001 (2019). 10.1088/2053-1583/aaf836
Review article highlighting applications, current status and future directions for the synthesis, processing and characterization of 2D layered chalcogenides with contributions from in-house researchers, local users and external users of 2DCC.
- Y.C. Lin, B. Jariwala, B. Bersch, K. Xu, Yi.F. Nie, B.M. Wang, S.M. Eichfeld, X. Zhang, T.H. Choudhury, Y. Pan, R. Addou, C. Smith, J. Li, K. Zhang, M. Aman Haque, S. Folsch, R. Feenstra, R.M. Wallace, K.J. Cho, S. Fullerton-Shirey, J.M. Redwing, and J.A. Robinson, “Realizing Large-Scale, Electronic-Grade Two-Dimensional Semiconductors,” ACS Nano 12(2), 965–975 (2018). 10.1021/acsnano.7b07059.
Demonstration of MOCVD growth and properties of WSe2 epitaxial films grown on sapphire in collaboration with external user.
- F. Zhang, K. Momeni, M. AlSaud, A. Azizi, M. Hainey, J. Redwing, L-Q. Chen, and N. Alem. "Controlled Synthesis of 2D Transition Metal Dichalcogenides: from vertical to planar MoS2", 2D Materials (2017), 4, (2), 025029. 10.1088/2053-1583/aa5b01
Combined experimental and computational modeling study of powder vapor transport of MoS2 films carried out in collaboration with local and external users.
In-house Research Publications
Y. Xuan, A. Jain, S. Zafar, R. Lotfi, N. Nayir, Y. Wang, T.H. Choudhury, S. Wright, J. Feraca, L. Rosenbaum, J.M. Redwing, V. Crespi, A. van Duin “Multi-scale modeling of gas-phase reactions in metal-organic chemical vapor deposition growth of WSe2,” Science Direct, 527, 125247, (2019). 10.1016/j.jcrysgro.2019.125247
- L.T. Alameda, R.W. Lord, J.A. Barr, P. Moradifar, Z.P. Metzger, B.C Steimle, C.F. Holder, N. Alem, S.B. Sinnott, R.E. Schaak, “Multi-Step Topochemical Pathway to Metastable Mo2AlB2 and Related Two-Dimensional Nanosheet Heterostructures,” Journ. of the American Chem. Soc., 141 (27), 10852-10861 (2019). 10.1021/jacs.9b04726
- P. Zhao, Y. Wang, B. Katz, E. Mockensturm, V.H. Crespi, S. Zhang, “Geometry and chiral symmetry breaking of ripple junctions in 2D materials,” Journ. of the Mechanics and Physics of Solids, 131, 337-343 (2019). 10.1016/j.jmps.2019.07.007
- B. Huet, X. Zhang, J.M. Redwing, D.W. Snyder, J.-P. Raskin, “Multi-wafer batch synthesis of graphene on Cu films by quasi-static flow chemical vapor deposition,” 2D Materials, 6, 45032 (2019). 10.1088/2053-1583/ab33ae
- R. Rao, V. Carozo, Y. Wang, A.E. Islam, N. Perea-Lopez, K. Fujisawa, V.H. Crespi, M. Terrones, B. Maruyama, “Dynamics of cleaning, passivating and doping monolayer MoS2 by controlled laser irradiation,” 2D Materials, 6, 45031 (2019). 10.1088/2053-1583/ab33ab
- N. Briggs, Z.M. Gebeyehu, A. Vera, T. Zhao, K. Wang, A. Duan, B. Bersch, T. Bowen K.L. Knappenberger Jr., J.A. Robinson, “Epitaxial graphene/silicon carbide intercalation: a minireview on graphene modulation and unique 2D materials,” Nanoscale, 11, 15440-15447 (2019). 10.1039/C9NR03721G
- S. Islam, S. Bhattacharya, H. Nhalil, M. Banerjee, A. Richardella, A. Kandala, D. Sen, N. Samarth, S. Elizabeth, A. Ghosh, "Low-temperature saturation of phase coherence length in topological insulators," Physical Review B 99, 245407 (2019). 10.1103/PhysRevB.99.245407
- S.H. Lee, Y. Zhu, Y. Wang, L. Miao, T. Pillsbury, H. Yi, S. Kempinger, J. Hu, C.A. Heikes, P. Quaterman, W. Ratcliff, J.A. Borchers, H. Zhang, X. Ke, D. Graf, N. Alem, C-Z. Chang, N. Samarth, and Z. Mao, “Spin scattering and noncollinear spin structure-induced intrinsic anomalous Hall effect in antiferromagnetic topological insulator MnBi2Te4,” Phys. Rev. Res., 1, 012011R (2019). 10.1103/PhysRevResearch.1.012011
Demonstration of intrinsic anomalous Hall effect in an intrinsic antiferromagnetic topological insulator synthesized in the 2DCC bulk growth facility.
- F. Zhang, Y. Wang, C. Erb, K. Wang, P. Moradifar, V. H. Crespi, N. Alem, “Full orientation control of epitaxial MoS2 on hBN assisted by substrate defects”, Phys. Rev. B, (2019), 99, 155430. 10.1103/PhysRevB.99.155430
Joint experiment/theory identification of a defect-complex mechanism that results in a preferred orientation for transition metal dichalcogenides grown epitaxially on hexagonal boron nitride, providing insights towards achieving single-crystal monolayers of materials relevant to 2DCC mission, performed using 2DCC theory/simulation facility.
- F. Wang, D. Xiao, W. Yuan, J. Jiang, Y.-F. Zhao, L. Zhang, Y. Yao, W. Liu, Z. Zhang, C. Liu, J. Shi, W. Han, M. H. W. Chan, N. Samarth, and C.-Z. Chang, “Observation of Interfacial Antiferromagnetic Coupling between Magnetic Topological Insulator and Antiferromagnetic Insulator,” Nano Letters, (2019). 10.1021/acs.nanolett.9b00027
Demonstration of unique interfacial antiferromagnetic alignment in a magnetic topological insulator/antiferromagnetic insulator heterostructure.
- X. Zhang, F. Zhang, Y. Wang, D. S. Schulman, T. Zhang, A. Bansal, N. Alem, S. Das, V. H. Crespi, M. Terrones, J. M. Redwing, “Defect-controlled nucleation and orientation of WSe2 on hBN – a route to single crystal epitaxial monolayers”, ACS Nano, 13 (3), 3341, (2019). 10.1021/acsnano.8b09230
Development of defect-assisted epitaxial growth demonstrating orientation control and improved optical and transport properties for WSe2 grown on hBN using 2DCC facilities with associated 2DCC-supported theory and simulation (collaborative follow-up to the initial discovery in MoS2, provides evidence of generality for the defect-enabled epitaxy mechanism discovered by 2DCC).
- L.-H. Hu, C.-X. Liu, F.-C. Zhang, “Topological Larkin-Ovchinnikov phase and Majorana zero mode chain in bilayer superconducting topological insulator films,” Commun. Physics, 2 (1), 1-7 (2019). 10.1038/s42005-019-0126-8
Theoretical prediction of topological Larkin-Ovchinnikov phase that can arise in superconducting topological insulator films as a potential future synthetic target.
- Y. Yuan, Y. Lu, G. Stone, K. Wang, C.M. Brooks, D.G. Schlom, S.B. Sinnott, H. Zhou, V. Gopalan, “Three-dimensional atomic scale electron density reconstruction of octahedral tilt epitaxy in functional perovskites,” Nature Commun. 9, 5220 (2018). 10.1038/s41467-018-07665-1
Combined experimental and theoretical study of octahedral tilts and polar distortions at perovskite interfaces including collaborators from 2DCC and PARADIM.
- M. Chubarov, T.H. Choudhury, X. Zhang and J.M. Redwing, “In-plane x-ray diffraction for characterization of monolayer and few-layer transition metal dichalcogenide films,” Nanotechnol. 29, 055706 (2018). 10.1088/1361-6528/aaa1bd
Development of large-area structural characterization techniques for 2D chalcogenide films in support of synthetic efforts in the 2DCC.
- Z. Zhang, Y. Wang, X.X. Leng, V. H. Crespi, F. Kang, and R. Lv, “Controllable Edge Exposure of MoS2 for Efficient Hydrogen Evolution with High Current Density,” ACS Appl. Energy Mater. 1(3), 1268–1275 (2018). 10.1021/acsaem.8b00010
Joint experiment/theory effort on catalytic properties of the edges of 2D transition metal dichalcogenides, of relevance for both application and understanding and controlling edge exposure and edge properties in these systems, using 2DCC theory/simulation facility.
- A. Kozhakhmetov, T.H. Choudhury, Z.Y. Al Balushi, M. Chubarov, and J.M. Redwing, “Effect of substrate on the growth and properties of thin 3R NbS2 films grown by chemical vapor deposition,” J. Crystal Growth 486, 137-141 (2018). 10.1016/j.jcrysgro.2018.01.031
Investigation and optimization of MOCVD synthesis of a distinct class of 2D metallic transition metal chalcogenide thin films.
- Y.J. Tang, C.I. Chia, and V. H. Crespi, “Dual-Sided Adsorption: Devil’s Staircase of Coverage Fractions,” Phys. Rev. Lett. 120, 056101 (2018). 10.1103/PhysRevLett.120.056101
Theoretical and computational proposal for a novel 2D system formed from adsorption onto a suspended 2D monolayer, with a general scheme that could apply to any sufficiently thin semiconducting or insulator 2D layer, performed using 2DCC theory/simulation facility.
- D. Xiao, J. Jiang, J.H. Shin, W. Wang, F. Wang, Y.F. Zhao, C.X. Liu, W.D Wu, M. H. W. Chan, N. Samarth, and C.Z. Chang, “Realization of the Axion Insulator State in Quantum Anomalous Hall Sandwich Heterostructures,” Phys. Rev. Lett., 120, 056801 (2018). 10.1103/PhysRevLett.120.056801
New quantum state of matter demonstrated in a magnetically doped topological insulator heterostructure grown in the 2DCC thin films facility.
- M. Hasanian, B. Mortazavi, A. Ostadhossein, T. Rabczuk, and A.C.T. van Duin, “Hydrogenation and defect formation control the strength and ductility of MoS2 nanosheets: Reactive molecular dynamics simulation,” Extreme Mech. Lett. 22, 1570164 (2018). 10.1016/j.eml.2018.05.008
Investigation of defects and functionalization of 2D transition metal dichalcogenide thin films through reactive force field simulation performed in part in 2DCC theory/simulation facility.
- D.E. Yilmaz, R. Lotfi, C. Ashraf, S.W. Hong and A.C.T. van Duin, “Defect design of two-dimensional MoS2 structures by using a graphene layer and potato stamp concept,” J. Phys. Chem. C, 122(22), 11911-11917 (2018). 10.1021/acs.jpcc.8b02991
Computational development of a new controlled defect induction concept utilizing adhesion of 2D chalcogenide monolayers through reactive force field simulation carried out using the 2DCC theory/simulation facility.
- T.H. Choudhury, H. Simchi, R. Boichot, M. Chubarov, S.E. Mohney and J.M. Redwing, “Chalcogen precursor effect on cold-wall gas-source chemical vapor deposition growth of WS2,” Cryst. Growth Des. 8, 4357-4364 (2018). 10.1021/acs.cgd.8b00306
Investigation of the effect of precursor chemistry on the growth and properties of WS2 thin films grown by MOCVD in the 2DCC thin films facility.
- F.A. Soria, W.W. Zhang, P.A. Paredes-Olivera, A.C.T. van Duin and E.M. Patrito, “Si/C/H ReaxFF reactive potential for silicon surfaces grafted with organic molecules,” J. Phys. Chem. C. 122 (41), 23515-23527 (2018). 10.1021/acs.jpcc.8b07075
Development of reactive force fields to handle silicon, carbon, and hydrogen of relevance to platform efforts on confinement heteroepitaxy, a novel means of growing new types of 2D metals.
- N. Briggs, M.I Preciado, Y.F. Lu, K. Wang, J. Leach, X.F. Li, K. Xiao, S. Subramanian, B.M. Wang, A. Haque, S. Sinnott and J.A. Robinson, “Transformation of 2D group III-selenides to ultra-thin nitrides: enabling epitaxy on amorphous substrates,” Nanotechnol. 29, 47 (2018). 10.1088/1361-6528/aae0bb
Development of chemical transformation routes towards expanding the suite of 2D systems that are synthetically accessible starting from a chalcogenide initial state.
- Y. Wang, B.R. Carvalho, V.H. Crespi, “Strong exciton regulation of Raman scattering in monolayer MoS2,” Phys. Rev. B. 98 (16), 161405 (2018). 10.1103/PhysRevB.98.161405
Development of new theoretical/computational tools to understand and interpret optical response of 2D systems, in close concert with experiment, to enhance capabilities of interpretation of in situ and ex situ platform optical probes, performed using 2DCC theory/simulation facility.
- S. Islam, S. Bhattacharyya, A. Richardella, N. Samarth, and A. Ghosh, “Bulk-impurity Induced Noise in Large-area Epitaxial Thin Films of Topological Insulators”, Appl. Phys. Lett 2017, 111, 062107; DOI: 10.1063/1.4998464
Measurement of low frequency noise in (Bi,Sb)2Te3 films grown in 2DCC facility as a method to characterize bulk impurities and defects.
- Y. Pan, Q-Z. Wang, A. Yeta, T. Pillsbury, T. Flanagan, A. Richardella, H. Zhang, D. Awschalom, C-X. Liu, N. Samarth, “Helicity Dependent Photocurrent in Electrically Gated (Bi1-xSbx)2Te3 Thin Films”, Nature Commun. 2017, 8, 1037; DOI: 10.1038/s41467-017-00711-4
Study of helicity dependent photocurrent in topological thin films grown in the 2DCC thin films facility.
- A. Ostadhossein, A. Rahnamoun, Y. Wang, P. Zhao, S. Zhang, V.H. Crespi, and A.C.T. van Duin, “ReaxFF Reactive Force-Field Study of Molybdenum Disulfide (MoS2)”, Journal of Physical Chemistry Letters 2017, 8, 631–640. DOI: 10.1021/acs.jpclett.6b02902
Developed the first reactive potential to describe TMD systems, of broad general utility in simulations of kinetic processes e.g. (growth) and also structural distortions of TMDs, with initial application to ripple deformations; this potential is available to users through the 2DCC website (with extensions in progress by 2DCC).
- Y. Wang and V. H. Crespi, “Theory of Finite-Length Grain Boundaries of Controlled Misfit Angle in Two-Dimensional Materials”, Nano Letters 2017, 17, 5297. DOI: 10.1021/acs.nanolett.7b01641
A theory-driven proposal for a general mechanism of grain boundary engineering in any 2D material, which could provide a way to place grain boundaries of desired misfit angles at desired locations (we are currently extending this theory as a possible route to grow multilayer magic angles), performed using 2DCC theory/simulation facility.
- Y. Wang and V. Crespi, “NanoVelcro: Theory of Guided Folding in Atomically Thin Sheets with Regions of Complementary Doping”, Nano Letters 2017, 17 (11), 6708-6714; DOI: 10.1021/acs.nanolett.7b02773
Theory-driven scheme to program a folding structure into an arbitrary 2D semimetallic or semiconducting system by applying key concepts from origami to complementary p and n type doping, using 2DCC theory/simulation facility.
- A. Yeats, P. Mintun, Y. Pan, A. Richardella, B. Buckley, N. Samarth, and D. Awschalom, “Local Optical Control of Ferromagnetism and Chemical Potential in a Topological Insulator”, PNAS 2017, 114 (9), 10379-10383; DOI: 10.1073/pnas.1713458114
Demonstration of micron-scale optical control of magnetism and chemical potential in magnetically doped topological insulators grown in 2DCC thin films facility.
- W. Dai, A. Richardella, R. Du, W. Zhao, X. Liu, C-X. Liu, S-H. Huang, R. Sankar, F. Chou, N. Samarth, and Q. Li, “Proximity-effect-induced Superconducting Gap in Topological Surface States - A Point Contact Spectroscopy Study of NbSe2/Bi2Se3 Superconductor-Topological Insulator Heterostructures”, Scientific Reports 2017, 7; DOI: 10.1038/s41598-017-07990-3
Point-contact study of proximity-induced superconductivity in 2D heterostructure carried out by 2DCC thin films facility.
- A. McCreary, J. Simpson, Y. Wang, D. Rhodes, K. Fujisawa, L. Balicas, M. Dubey, V. Crespi, M. Terrones, and A. Hight Walker, “Intricate Resonant Raman Response in Anisotropic ReS2”, Nano Lett. 2017, 17, 5897−5907. DOI: 10.1021/acs.nanolett.7b01463
The first calculation of resonant Raman response in a Rhenium-based TMD in close collaboration with experiment, identifying the origins of a complex assembly of Raman modes in this low-symmetry 2D chalcogenide. This work extends the suite of 2D chalcogenides for which we are able to interpret optical probes and uses 2DCC theory/simulation facility.
- N. Samarth, “Quantum Materials Discovery From a Synthesis Perspective,” Nature Materials 2017, 16, 1068-1076; DOI: 10.1038/NMAT5010
Review article on status and opportunities in materials synthesis of quantum materials including those from the 2DCC thin films facility.
- J. P. Heremans, R.J. Cava, and N. Samarth, “Tetradymites as Thermoelectrics and Topological Insulators”, Nat. Rev. Mater. 2017, 2, 17049. 10.1038/natrevmats.2017.49
Review article on the synthesis and properties of tetradymites with contributions from 2DCC thin films facility.
- V. Carozo, Y. Wang, K. Fujisawa, B. R. Carvalho, A. McCreary, S. Feng, Z. Lin, C. Zhou, N. Perea-López, A. L. Elías, B. Kabius, V. H. Crespi, and M. Terrones, “Optical identification of sulfur vacancies: Bound excitons at the edges of monolayer tungsten disulfide”, Sci. Adv. 2017, 3, e1602813. DOI: 10.1126/sciadv.1602813
A methodology to identify important defects in TMDs through rapid optical spectroscopic characterization, and elucidation of the mechanisms of exciton/defect binding, using 2DCC theory/simulation facility and supportive of optical characterization of thin films produced by 2DCC.
- B. R. Carvalho, Y. Wang, S. Mignuzzi, D. Roy, M. Terrones, C. Fantini, V. H. Crespi, L. M. Malard, and M. A. Pimenta, “Intervalley scattering by acoustic phonons in two-dimensional MoS2 revealed by double-resonance Raman spectroscopy”, Nature. Commun. 2017, 8, 14670. DOI: 10.1038/ncomms14670
Elucidation of the correct resonant intervalley origin for key Raman modes in TMD MoS2 through close theory/experiment collaboration, an effort that provides guidance for the interpretation of optical characterization of samples produced by 2DCC, using 2DCC theory/simulation facility.
- A. Azizi, Y. Wang, G. Stone, A. L. Elias, Z. Lin, M. Terrones, V. H. Crespi, and N. Alem, “Defect Coupling and Sub-Angstrom Structural Distortions in W1–xMoxS2Monolayers”, Nano Lett. 2017, 17, 2802. 10.1021/acs.nanolett.6b05045
Experimental and theoretical study demonstrating coupling of vacancies and metal atoms in transition metal dichalcogenide alloys carried out by 2DCC thin films and theory/simulation facility.
- C-X. Liu, “Unconventional Superconductivity in Bilayer Transition Metal Dichalcogenides”, Phys Rev. Lett. 2017, 118, 087001. 10.1103/PhysRevLett.118.087001
Theoretical study predicting superconducting phases in bilayer transition metal dichalcogenides.
- A. Azizi, Y. Wang, Z. Lin, K. Wang, A.L. Elias, M. Terrones, V.H. Crespi, and N. Alem, “Spontaneous Formation of Atomically Thin Stripes in Transition Metal Dichalcogenide Monolayers,” Nano Lett. 2016, 16 (11), 6982−6987, DOI: 10.1021/acs.nanolett.6b03075
Experimental and theoretical study of atomic scale ordering in 2D transition metal dichalcogenide alloys carried out by collaborators in 2DCC thin films and theory/simulation facility.
- S-L. Shang, G. Lindwall, Y. Wang, J.M. Redwing, T. Anderson, and Z-K. Liu, “Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS2,” Nano Lett. 2016, 16 (9), 5742-5750, DOI: 10.1021/acs.nanolett.6b02443
Thermodynamic investigation into the effects of processing conditions on the growth mode of transition metal dichalcogenide films carried out in collaboration with 2DCC thin films facility.
2DCC Patents List
The following are not yet official awarded patents, however these two invention disclosures acknowledge the 2DCC. They were generated from in-house research and included both experiment and theory to arrive at the invention disclosure.
- “Method of Growing Crystalline Layers on Amorphous Substrates”; PSU Invention Disclosure Number: 2018-4743.
- “Graphene Hybrids for Chemical and Biological Sensing”; PSU Invention Disclosure Number: 2018-4864.
Here is a link to Google Scholar for a dynamic listing of 2DCC publications and meeting abstracts: 2DCC Google Scholar.