First principles Simulations for fullerenes and Atomic Force Microscopy: Reactivity and Manipulation at the atomic scale.
|
|
- Jasper Bruce
- 5 years ago
- Views:
Transcription
1 First principles Simulations for fullerenes and Atomic Force Microscopy: Reactivity and Manipulation at the atomic scale. Rubén Pérez Nanomechanics & SPM Theory Group Departamento de Física Teórica de la Materia Condensada Projects supported by RES in BSC, October 2008
2 Outline 1. Fullerenes from Aromatic Precursors by Surface-catalysed Cyclodehydrogenation Nature 454, 865 (2008) 2. Complex Patterning by Vertical Interchange Atom Manipulation Using Atomic Force Microscopy Science 322, 413 (2008)
3 Fullerenes from Aromatic Precursors by Surface-catalysed Cyclodehydrogenation Nature 454, 865 (2008) Ab initio Simulations: UAM: G. Biddau, M. Basanta, J. Ortega, R. Perez Surface Science: ICMM (CSIC): G. Otero,C. Sanchez-Sanchez, R. Caillard, M.F. Lopez, C. Rogero, F.J. Palomares, J. Mendez, J.A. Martin-Gago Chemistry: ICMM (CSIC): B. Gomez-Lor ICIQ: N. Cabello, A.M. Echevarren
4 Objective and motivations OBJECTIVE: Study and efficient synthesis fullerenes and triazafullerenes C57N3 C60 MOTIVATIONS: microelectronics, superconductivity, corrosion resistence, non linear optics, organic ferromagnetism... Available synthesis methods: Fullerenes: - Graphite Vaporization (uncontrolled) - Through dehydrogenation1 (low efficiency) 1] Scotts et al., Science 295, (2002) Triazafulleres: none
5 The Process VACUUM THERMAL EVAPORATION Cyclodehydrogenation FULLERENE AND TRIAZAFULLERENES Adsorption process ANNEALING (750 K) Efficiency ~100%
6 Experimental and Theoretical evidences PAHs DFT computational details: 1) C60H30 2) C57N3H33 Both Local Orbital (FIREBALL) and plane wave (CASTEP) abinitio methods have been used in LDA and GGA approximation Ideal conditions: Both are markedly twisted, Δz: 0.08 Å (polyarene 1), 0.09 Å (heteropolyarene 2).Twisting angle: 20.5º (1) and 30.5º (2) 1 2
7 Experimental and Theoretical evidences PAHs: Adsorption Experimental STM molecular shape: three wings (molecules do not fragment and maintain almost planar configuration) lobes (DFT calculations associate to external ring).
8 Experimental and Theoretical evidences PAHs: Adsorption Theoretical: As from STM images, energy landscape is complicated, many possible adsorption configurations. Strong variation of molecules height (Δz varies from 0.08 Ang to 0.02 Ang) Tendency to maxime the number of C-Pt bonds.
9 Experimental and Theoretical evidences Apparent height of 0.14 nm Base length of 2.2 nm No dependence on bias voltage. DFT Molecular Orbitals, confirm STM height and lengths. Molecular Orbitals of PAHs strongly hybridize with surface, resulting in a broad DOS at Fermi level ~11 Angstrom ~1.3 Angstrom
10 Experimental and Theoretical evidences ANNEALING 750 K After annealing, molecules have: height is 0.4 nm and diameter of 1.35 nm The low height indicates a strong covalent adsorption. Are they really fullerenes (triazafullerene)? 1) These values are compatible with other fullerenes adsorption datas on Pt, Si and Au. 2) We adsorbed in same experimental condition, commercial fullerenes and no difference are observed. For triazafullerene, XPS 1 peak, shows 3)
11 Experimental and Theoretical evidences After annealing, molecules have: height is 0.4 nm and diameter of 1.35 nm The low height indicates a strong covalent adsorption. Are they really fullerenes (triazafullerene)? 1)These values are compatible with other fullerenes adsorption datas on Pt, Si and Au. 2)We adsorbed in same experimental condition, commercial fullerenes and no difference are observed. 3)For triazafullerene, XPS 1 peak, shows
12 Experimental and Theoretical evidences After annealing, molecules have: height is 0.4 nm and diameter of 1.35 nm The low height indicates a strong covalent adsorption. Are they really fullerenes (triazafullerene)? 1) These values are compatible with other fullerenes adsorption datas on Pt, Si and Au. 2) We adsorbed in same experimental condition, commercial fullerenes (2) and no difference are observed. For triazafullerene, XPS 1 peak, shows 3)
13 Experimental and Theoretical evidences After annealing, molecules have: height is 0.4 nm and diameter of 1.35 nm The low height indicates a strong covalent adsorption. Are they really fullerenes (triazafullerene)? 1) These values are compatible with other fullerenes adsorption datas on Pt, Si and Au. 2) We adsorbed in same experimental condition, commercial fullerenes and no differences are observed. 3) For triazafullerene, XPS 1st peak, shows the2 nitrogen bonded with nd carbon with sp hydridization, the 2 can be attributed to nitrogen of the carbon cage interacting with platinum surface. DFT calculations confirm this orientation.
14 Annealing and Cyclodehydrogenation MASS SPECTROMETRY ON DEUTERATED PRECURSORS Thermal annealing (750 K) produces a serie of dehydrogenation reactions. To exclude that activation is due to the tip, dehydrogenation signal in a mass spectrometer has been detected as a function of annealing temperature. To avoid artefacts of H desorption from apparatus, deuterated precursors have been synthesized. The mass spectrum shows: 1) No molecular shape modification dehydrogenation under 400 K or 2) Between 400 and 600 K we could have partial dehydrogenation as asymmetrical molecules are observed 3) Rapid desorption about 700K 4) Formation of HD from H2 and D2 is enhanced by the strong interaction molecule-surface
15 Annealing and Cyclodehydrogenation DFT CHARACTERIZATION Adsorbed dehydrogenation DFT calculations are computationally impossible, by the way the theoretical calculation for the free molecules provide evidence that dehydrogenation induces a strong tendency towards cyclization. 1) Removal of central H atoms, triggers structural and electronical change to induce wings to approach each other to form a hydrogenated semi-cage 2) A NEB systematic study of fully dehydrogenated mocule via ab-initio methods, shows that the different possible paths from planar precursors to fullerene cage, has barries less than 0.3 ev
16 Annealing and Cyclodehydrogenation DFT CHARACTERIZATION Adsorbed dehydrogenation DFT calculations are computationally impossible, by the way the theoretical calculation for the free molecules provide evidence that dehydrogenation induces a strong tendency towards cyclization. 1) Removal of central H atoms, triggers structural and electronical change to induce wings to approach each other to form a hydrogenated semi-cage 2) A NEB systematic study of fully dehydrogenated mocule via ab-initio methods, shows that the different possible paths from planar precursors to fullerene cage, have barriers smaller than 0.3 ev
17 Annealing and Cyclodehydrogenation
18 The Process
19 Conclusions and Future Developments OUR GOALS: In this work we have shown a very efficient synthesis process for fullerenes and triazafullerenes We have characterized adsorptions of PAHs, fullerenes and triazafullerenes in different adsorption sites, providing the first ab-initio calculations for all the systems studied. We have described the molecular orbital shape of molecules, characterizing the structural (height) and electronical contributions to DOS. Theoretical and experimental STM images are in good agreements Fullerenes from Aromatic Precursors by Surface-catalysed Cyclodehydrogenation NEXT: 454, 865 (June 2008) A wide range of possible heterofullerene and endohedral fullerenes could be obtained Surface catalysed cyclodehydrogenation could be proposed for other metallic surfaces Nature
20 Complex Patterning by Vertical Interchange Atom Manipulation Using Atomic Force Microscopy Science 322, 413 (2008) Ab initio Simulations: UAM: P. Pou, R. Perez FZU(Prague): P. Jelinek AFM Experiments: Osaka University:Y. Sugimoto, M. Abe, S. Morita NIMS (Tsukuba, Japan): O. Custance
21 ATOMIC FORCE MICROSCOPY (AFM) G. Binnig, C. Gerber & C. Quate, PRL 56 (1986) 930 2nd most cited PRL: citations!!!
22 Dynamic AFM
23 Dynamic AFM: Our Goal Why changes observed in the dynamic properties of a vibrating cantilever with a tip that interacts with a surface make possible to: AM-dAFM Obtain molecular resolution images of biological samples in ambient conditions. Resolve atomic-scale defects in UHV. FM-dAFM R. García and R. Pérez, Surf. Sci. Rep. 47, 197 (2002)
24 Tip-sample Interaction: FV + FvdW + Fchem Fchem wfs overlap Sensitivity to Short-Range Forces? Exp: A = 340 Å!!!, R = 40 Å Weak singularity at turning points!!!!
25 Dynamic Force Spectroscopy: Access to Fts Ad2 Ad1 Re1 Ad2 Ad1 H3 Ad2 Ad1 Inversion algorithms 0,4 Short-range Force (nn) 0,2 U. Durig, APL 76, 1203 (2000) 0,0-0,2-0,4 F.J. Giessibl, APL 78, 123 (2001) -0,6-0,8 Exp. Adatom 2 Exp. Restatom 1 Exp. H3-1,0-1,2-1,4-1,6-1, Tip-surface Distance (Å) 8 9 J. E. Sader & S. P. Jarvis, APL 84, 1801 SR(2004). forces amenable to ab initio calculations
26 Recent developments in FM-AFM N. Oyabu et al. Phys. Rev. Lett. 96, (2006). Ad2 1.4 Disspation (ev per Cycle) 1. DISSIPATION: Characterizing the tip structure and identifying a dissipation channel due to single atomic contact adhesion. 1.6 Ad1 Ad1 Re1 Re2 H3 Ad2 1.2 Ad1 Ad Exp. Adatom 2 Exp. Restatom 1 Exp. H Tip-surface Distance (Å) 2. IMAGING: changes in topography: access to the real surface structure? Y. Sugimoto et al Phys. Rev. B 73, (2006) fn m -7.3 fn m -8.4 fn m 3. CHEMICAL IDENTIFICATION: based on the relative interaction ratio of the maximum attractive force measured by dynamic force spectroscopy Y. Sugimoto et al Nature 446, 64 (2007).
27 Recent developments in FM-AFM Understanding RT DFM-based single-atom manipulation 4. LATERAL MANIPULATION: Si vacancy on Si(111)-7x7 (tip assisted thermal hopping) Y. Sugimoto et al. Phys. Rev. Lett. 98, (2007). 5. VERTICAL MANIPULATION: Tip/sample exchange of atoms on Sn/Si(111) Y. Sugimoto et al., Science 322, 413 (2008).
28 Interchange vertical manipulation: Si Sn Tip positioning over a selected Si atom Sn Si Sn f=-7.3 Hz Atom tracking technique Lateral precision: ± 0.1 Å M. Abe, Y. Sugimoto, O. Custance, and S. Morita, Appl. Phys. Lett. 87 (2005) M. Abe, Y. Sugimoto, O. Custance, and S. Morita, Nanotechnology 16 (2005) 3029.
29 Interchange vertical manipulation: Si Sn Tip approach toward the Si atom Sn Sn Si Sn SiSn Sn f=-7.3 Hz Ref special shape jump Z [Å] γ [ fn m] f [Hz] - 10 Typical f-z curve
30 Interchange vertical manipulation: Si Sn Tip retraction from the surface Sn Sn Si Sn SiSn Sn f=-7.3 Hz f=-7.3 Hz The Si atom on the surface was special shape jump Z [Å] γ [ fn m] - 10 f [Hz] Sn Sn Sn interchanged with a Sn atom at the tip apex. The contrast of the images before and after manipulation are almost same.
31 Reproducibility Si Sn f [Hz] Z [Å] Sn Si γ [ fn m] f [Hz] - 15 γ [ fn m] Z [Å] Si Sn Z [Å] Sn Si Z [Å] γ [ fn m] - 30 f [Hz] f [Hz] - 15 γ [ fn m] -5-10
32 Mechanism: Vertical Interchange Vertical manipulation as a combination of mechanical and thermal process. Formation of a characteristic dimer structure along deformation path (energetically stable). Atomic rearrangements reflects in energy & forces discontinuities. Local character of the tip-sample deformation. Temperature effect not included in the simulation.
33 Mechanism: Energy Barriers Explore possible dimer rearrangement due to thermal & mechanical movement Complicated configuration space; only limited configurational space explored Estimated energy barriers ~ 0.4 ev (Nudged elastic band calculation). Dependence on the tip-sample distance, tip elasticity & structure, temperature...
34 Nanostructuring by interchange vertical manipulation Atomic dip-pen nanolithography
35 Atomic dip-pen nanolithography 11 Interchange vertical manipulations + 1 Interchange lateral manipulation The construction time was reduced to 1.5 hours. Sn Si
36 Conclusions Single-atom manipulations: atomistic insight into these processes. Lateral Si-vacancy manipulation Significant reduction of activation energy due to the tip proximity Operating at the attractive force regime Y. Sugimoto et al, Phys. Rev. Lett. 98, (2007) Vertical Si/Sn-exchange manipulation New manipulation method: Interchange vertical manipulation Characteristic mechanical deformation: the hybrid tip-surface dimer structure Operating at the repulsive force regime Combination of mechanical and thermal processes Y. Sugimoto et al, Science 322, 413 (2008).
37 Acknowledgements & Funding MEC (Spain): Projects MAT , NAN C10-07 EU FP-6: STREP project FORCETOOL (NMP4-CT ) RES (Computing): Magerit (CesViMa) & Mare Nostrum (BSC)
For preparing Sn adatoms on the Si(111)-(7 7) surface, we used a filamenttype
Supplementary Methods 1 1.1 Germanium For preparing Ge adatoms on the Si(111)-(7 7) surface, we used a filamenttype source which wrapped a grain of Ge (Purity: 99.999 %). After preparing the clean Si(111)-(7
More informationTheoretical Modelling and the Scanning Tunnelling Microscope
Theoretical Modelling and the Scanning Tunnelling Microscope Rubén Pérez Departamento de Física Teórica de la Materia Condensada Universidad Autónoma de Madrid Curso Introducción a la Nanotecnología Máster
More informationLinear-scaling ab initio study of surface defects in metal oxide and carbon nanostructures
Linear-scaling ab initio study of surface defects in metal oxide and carbon nanostructures Rubén Pérez SPM Theory & Nanomechanics Group Departamento de Física Teórica de la Materia Condensada & Condensed
More informationScanning Tunneling Microscopy. how does STM work? the quantum mechanical picture example of images how can we understand what we see?
Scanning Tunneling Microscopy how does STM work? the quantum mechanical picture example of images how can we understand what we see? Observation of adatom diffusion with a field ion microscope Scanning
More informationProgram Operacyjny Kapitał Ludzki SCANNING PROBE TECHNIQUES - INTRODUCTION
Program Operacyjny Kapitał Ludzki SCANNING PROBE TECHNIQUES - INTRODUCTION Peter Liljeroth Department of Applied Physics, Aalto University School of Science peter.liljeroth@aalto.fi Projekt współfinansowany
More informationScanning Tunneling Microscopy
Scanning Tunneling Microscopy References: 1. G. Binnig, H. Rohrer, C. Gerber, and Weibel, Phys. Rev. Lett. 49, 57 (1982); and ibid 50, 120 (1983). 2. J. Chen, Introduction to Scanning Tunneling Microscopy,
More informationProbing Molecular Electronics with Scanning Probe Microscopy
Probing Molecular Electronics with Scanning Probe Microscopy Mark C. Hersam Assistant Professor Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208-3108 Ph: 847-491-2696,
More informationMolecular Dynamics on the Angstrom Scale
Probing Interface Reactions by STM: Molecular Dynamics on the Angstrom Scale Zhisheng Li Prof. Richard Osgood Laboratory for Light-Surface Interactions, Columbia University Outline Motivation: Why do we
More informationScanning Tunneling Microscopy
Scanning Tunneling Microscopy Scanning Direction References: Classical Tunneling Quantum Mechanics Tunneling current Tunneling current I t I t (V/d)exp(-Aφ 1/2 d) A = 1.025 (ev) -1/2 Å -1 I t = 10 pa~10na
More informationPoint mass approximation. Rigid beam mechanics. spring constant k N effective mass m e. Simple Harmonic Motion.. m e z = - k N z
Free end Rigid beam mechanics Fixed end think of cantilever as a mass on a spring Point mass approximation z F Hooke s law k N = F / z This is beam mechanics, standard in engineering textbooks. For a rectangular
More informationOutline. Introduction: graphene. Adsorption on graphene: - Chemisorption - Physisorption. Summary
Outline Introduction: graphene Adsorption on graphene: - Chemisorption - Physisorption Summary 1 Electronic band structure: Electronic properties K Γ M v F = 10 6 ms -1 = c/300 massless Dirac particles!
More informationSTM spectroscopy (STS)
STM spectroscopy (STS) di dv 4 e ( E ev, r) ( E ) M S F T F Basic concepts of STS. With the feedback circuit open the variation of the tunneling current due to the application of a small oscillating voltage
More informationLecture 4 Scanning Probe Microscopy (SPM)
Lecture 4 Scanning Probe Microscopy (SPM) General components of SPM; Tip --- the probe; Cantilever --- the indicator of the tip; Tip-sample interaction --- the feedback system; Scanner --- piezoelectric
More informationApplication of single crystalline tungsten for fabrication of high resolution STM probes with controlled structure 1
Application of single crystalline tungsten for fabrication of high resolution STM probes with controlled structure 1 A. N. Chaika a, S. S. Nazin a, V. N. Semenov a, V. G. Glebovskiy a, S. I. Bozhko a,b,
More informationExperimental methods in physics. Local probe microscopies I
Experimental methods in physics Local probe microscopies I Scanning tunnelling microscopy (STM) Jean-Marc Bonard Academic year 09-10 1. Scanning Tunneling Microscopy 1.1. Introduction Image of surface
More information2) Atom manipulation. Xe / Ni(110) Model: Experiment:
2) Atom manipulation D. Eigler & E. Schweizer, Nature 344, 524 (1990) Xe / Ni(110) Model: Experiment: G.Meyer, et al. Applied Physics A 68, 125 (1999) First the tip is approached close to the adsorbate
More informationScanning Tunneling Microscopy. Wei-Bin Su, Institute of Physics, Academia Sinica
Scanning Tunneling Microscopy Wei-Bin Su, Institute of Physics, Academia Sinica Tunneling effect Classical physics Field emission 1000 ~ 10000 V E V metal-vacuum-metal tunneling metal metal Quantum physics
More informationSpatially resolving density-dependent screening around a single charged atom in graphene
Supplementary Information for Spatially resolving density-dependent screening around a single charged atom in graphene Dillon Wong, Fabiano Corsetti, Yang Wang, Victor W. Brar, Hsin-Zon Tsai, Qiong Wu,
More informationScanning Probe Microscopy. Amanda MacMillan, Emmy Gebremichael, & John Shamblin Chem 243: Instrumental Analysis Dr. Robert Corn March 10, 2010
Scanning Probe Microscopy Amanda MacMillan, Emmy Gebremichael, & John Shamblin Chem 243: Instrumental Analysis Dr. Robert Corn March 10, 2010 Scanning Probe Microscopy High-Resolution Surface Analysis
More informationSupplementary Figure 1: Change of scanning tunneling microscopy (STM) tip state. a, STM tip transited from blurred (the top dark zone) to orbital
Supplementary Figure 1: Change of scanning tunneling microscopy (STM) tip state. a, STM tip transited from blurred (the top dark zone) to orbital resolvable (the bright zone). b, Zoomedin tip-state changing
More informationScanning Tunneling Microscopy
Scanning Tunneling Microscopy A scanning tunneling microscope (STM) is an instrument for imaging surfaces at the atomic level. Its development in 1981 earned its inventors, Gerd Binnig and Heinrich Rohrer
More informationScanning Tunneling Microscopy
Scanning Tunneling Microscopy References: 1. G. Binnig, H. Rohrer, C. Gerber, and Weibel, Phys. Rev. Lett. 49, 57 (1982); and ibid 50, 120 (1983). 2. J. Chen, Introduction to Scanning Tunneling Microscopy,
More informationScanning Tunneling Microscopy and its Application
Chunli Bai Scanning Tunneling Microscopy and its Application With 181 Figures SHANGHAI SCIENTIFIC & TECHNICAL PUBLISHERS Jpl Springer Contents 1. Introduction 1 1.1 Advantages of STM Compared with Other
More informationSurface Physics Surface Diffusion. Assistant: Dr. Enrico Gnecco NCCR Nanoscale Science
Surface Physics 008 8. Surface Diffusion Assistant: Dr. Enrico Gnecco NCCR Nanoscale Science Random-Walk Motion Thermal motion of an adatom on an ideal crystal surface: - Thermal excitation the adatom
More informationMolecular and carbon based electronic systems
Molecular and carbon based electronic systems Single molecule deposition and properties on surfaces Bottom Up Top Down Fundamental Knowledge & Functional Devices Thilo Glatzel, thilo.glatzel@unibas.ch
More informationRecent activities in TP C6:
Recent activities in TP C6: Adsorption, diffusion, and reaction at MoO 3 and V 2 O 5 substrate K. Hermann, M. Gruber, and X. Shi Theory Department, Fritz-Haber-Institut, Berlin Sfb 546 Workshop, Schmöckwitz,
More informationScanning Tunneling Microscopy Studies of the Ge(111) Surface
VC Scanning Tunneling Microscopy Studies of the Ge(111) Surface Anna Rosen University of California, Berkeley Advisor: Dr. Shirley Chiang University of California, Davis August 24, 2007 Abstract: This
More informationScanning Probe Microscopy. EMSE-515 F. Ernst
Scanning Probe Microscopy EMSE-515 F. Ernst 1 Literature 2 3 Scanning Probe Microscopy: The Lab on a Tip by Ernst Meyer,Ans Josef Hug,Roland Bennewitz 4 Scanning Probe Microscopy and Spectroscopy : Theory,
More informationFrom manipulation of the charge state to imaging of individual molecular orbitals and bond formation
Scanning Probe Microscopy of Adsorbates on Insulating Films: From manipulation of the charge state to imaging of individual molecular orbitals and bond formation Gerhard Meyer, Jascha Repp, Peter Liljeroth
More informationScanning Tunneling Microscopy
Scanning Tunneling Microscopy References: 1. G. Binnig, H. Rohrer, C. Gerber, and Weibel, Phys. Rev. Lett. 49, 57 (1982); and ibid 50, 120 (1983). 2. J. Chen, Introduction to Scanning Tunneling Microscopy,
More informationNanoEngineering of Hybrid Carbon Nanotube Metal Composite Materials for Hydrogen Storage Anders Nilsson
NanoEngineering of Hybrid Carbon Nanotube Metal Composite Materials for Hydrogen Storage Anders Nilsson Stanford Synchrotron Radiation Laboratory (SSRL) and Stockholm University Coworkers and Ackowledgement
More informationMicroscopy and Spectroscopy with Tunneling Electrons STM. Sfb Kolloquium 23rd October 2007
Microscopy and Spectroscopy with Tunneling Electrons STM Sfb Kolloquium 23rd October 2007 The Tunnel effect T ( E) exp( S Φ E ) Barrier width s Barrier heigth Development: The Inventors 1981 Development:
More informationIntroduction to Nanotechnology Chapter 5 Carbon Nanostructures Lecture 1
Introduction to Nanotechnology Chapter 5 Carbon Nanostructures Lecture 1 ChiiDong Chen Institute of Physics, Academia Sinica chiidong@phys.sinica.edu.tw 02 27896766 Carbon contains 6 electrons: (1s) 2,
More informationINTRODUCTION TO SCA\ \I\G TUNNELING MICROSCOPY
INTRODUCTION TO SCA\ \I\G TUNNELING MICROSCOPY SECOND EDITION C. JULIAN CHEN Department of Applied Physics and Applied Mathematics, Columbia University, New York OXFORD UNIVERSITY PRESS Contents Preface
More informationHigh resolution STM imaging with oriented single crystalline tips
High resolution STM imaging with oriented single crystalline tips A. N. Chaika a, *, S. S. Nazin a, V. N. Semenov a, N. N Orlova a, S. I. Bozhko a,b, O. Lübben b, S. A. Krasnikov b, K. Radican b, and I.
More informationCHARACTERIZATION AND MANIPULATION OF NANOSTRUCTURES BY A SCANNING TUNNELING MICROSCOPE
Mater.Phys.Mech. Characterization and 4 (2001) manipulation 29-33 of nanostructures by a scanning tunneling microscope 29 CHARACTERIZATION AND MANIPULATION OF NANOSTRUCTURES BY A SCANNING TUNNELING MICROSCOPE
More informationSTRUCTURAL AND MECHANICAL PROPERTIES OF AMORPHOUS SILICON: AB-INITIO AND CLASSICAL MOLECULAR DYNAMICS STUDY
STRUCTURAL AND MECHANICAL PROPERTIES OF AMORPHOUS SILICON: AB-INITIO AND CLASSICAL MOLECULAR DYNAMICS STUDY S. Hara, T. Kumagai, S. Izumi and S. Sakai Department of mechanical engineering, University of
More informationIntroduction to Nanotechnology Chapter 5 Carbon Nanostructures Lecture 1
Introduction to Nanotechnology Chapter 5 Carbon Nanostructures Lecture 1 ChiiDong Chen Institute of Physics, Academia Sinica chiidong@phys.sinica.edu.tw 02 27896766 Section 5.2.1 Nature of the Carbon Bond
More information(Scanning Probe Microscopy)
(Scanning Probe Microscopy) Ing-Shouh Hwang (ishwang@phys.sinica.edu.tw) Institute of Physics, Academia Sinica, Taipei, Taiwan References 1. G. Binnig, H. Rohrer, C. Gerber, and Weibel, Phys. Rev. Lett.
More informationMicroscopie a stilo: principi ed esempi di applicazione
Microscopie a stilo: principi ed esempi di applicazione Adele Sassella Dipartimento di Scienza dei Materiali Università degli Studi di Milano Bicocca adele.sassella@unimib.it Pavia, 22 aprile 2009 SCANNING
More informationSupplementary Figure 1 Atom gating results for Sn and Si a-b STM images showing Sn atom transfer by atom gating. The cross indicates where the tip is
Supplementary Figure 1 Atom gating results for Sn and Si a-b STM images showing Sn atom transfer by atom gating. The cross indicates where the tip is approached during atom gating. c-d STM images showing
More informationScanning Force Microscopy II
Scanning Force Microscopy II Measurement modes Magnetic force microscopy Artifacts Lars Johansson 1 SFM - Forces Chemical forces (short range) Van der Waals forces Electrostatic forces (long range) Capillary
More informationCurriculum Vitae December 2006
Appendix: (A brief description of some representative results) (1) Electronic states of Pb adatom and Pb adatom chains on Pb(111) have been investigated by spatially scanning tunneling spectroscopy (STS)
More informationScanning Probe Microscopy
1 Scanning Probe Microscopy Dr. Benjamin Dwir Laboratory of Physics of Nanostructures (LPN) Benjamin.dwir@epfl.ch PH.D3.344 Outline: Introduction: What is SPM, history STM AFM Image treatment Advanced
More informationIMAGING TECHNIQUES IN CONDENSED MATTER PHYSICS SCANNING TUNNELING AND ATOMIC FORCE MICROSCOPES
1 IMAGING TECHNIQUES IN CONDENSED MATTER PHYSICS SCANNING TUNNELING AND ATOMIC FORCE MICROSCOPES 2 WHY THIS TOPIC? STM and AFM images are ubiquitous in condensed matter physics. It is important to understand
More informationThe basics of Scanning Probe Microscopy
McGill University, Montreal, Jan. 8 th 2009 The basics of Scanning Probe Microscopy Federico Rosei Canada Research Chair in Nanostructured Organic and Inorganic Materials Énergie, Matériaux et Télécommunications,
More information8 Summary and outlook
91 8 Summary and outlook The main task of present work was to investigate the growth, the atomic and the electronic structures of Co oxide as well as Mn oxide films on Ag(001) by means of STM/STS at LT
More informationInstrumentation and Operation
Instrumentation and Operation 1 STM Instrumentation COMPONENTS sharp metal tip scanning system and control electronics feedback electronics (keeps tunneling current constant) image processing system data
More informationDFT EXERCISES. FELIPE CERVANTES SODI January 2006
DFT EXERCISES FELIPE CERVANTES SODI January 2006 http://www.csanyi.net/wiki/space/dftexercises Dr. Gábor Csányi 1 Hydrogen atom Place a single H atom in the middle of a largish unit cell (start with a
More informationSurface Studies by Scanning Tunneling Microscopy
Surface Studies by Scanning Tunneling Microscopy G. Binnig, H. Rohrer, Ch. Gerber, and E. Weibel IBM Zurich Research Laboratory, 8803 Ruschlikon-ZH, Switzerland (Received by Phys. Rev. Lett. on 30th April,
More informationScanning tunneling microscopy of monoatomic gold chains on vicinal Si(335) surface: experimental and theoretical study
phys. stat. sol. (b) 4, No., 33 336 (005) / DOI 10.100/pssb.00460056 Scanning tunneling microscopy of monoatomic gold chains on vicinal Si(335) surface: experimental and theoretical study M. Krawiec *,
More informationThe CASTEP Story. Mike Payne. Cavendish Laboratory University of Cambridge
The CASTEP Story Mike Payne Cavendish Laboratory University of Cambridge mcp1@cam.ac.uk Outline of Talk 1. The foundations of quantum mechanics. 2. The unfulfilled promise. 3. The new dawn. i. Density
More informationSUPPLEMENTARY INFORMATION
Simultaneous and coordinated rotational switching of all molecular rotors in a network Y. Zhang, H. Kersell, R. Stefak, J. Echeverria, V. Iancu, U. G. E. Perera, Y. Li, A. Deshpande, K.-F. Braun, C. Joachim,
More informationSupplementary Information. Spin coupling and relaxation inside molecule-metal contacts
Supplementary Information Spin coupling and relaxation inside molecule-metal contacts Aitor Mugarza 1,2*, Cornelius Krull 1,2, Roberto Robles 2, Sebastian Stepanow 1,2, Gustavo Ceballos 1,2, Pietro Gambardella
More informationFormation of clean dimers during gas-source growth of Si(001)
Formation of clean dimers during gas-source growth of Si(001) D.R.Bowler Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK (Dated: October 18, 2002) Elevated
More informationScanning Probe Microscopy (SPM)
Scanning Probe Microscopy (SPM) Scanning Tunneling Microscopy (STM) --- G. Binnig, H. Rohrer et al, (1982) Near-Field Scanning Optical Microscopy (NSOM) --- D. W. Pohl (1982) Atomic Force Microscopy (AFM)
More informationMicroscopical and Microanalytical Methods (NANO3)
Microscopical and Microanalytical Methods (NANO3) 06.11.15 10:15-12:00 Introduction - SPM methods 13.11.15 10:15-12:00 STM 20.11.15 10:15-12:00 STS Erik Zupanič erik.zupanic@ijs.si stm.ijs.si 27.11.15
More informationAdsorption, desorption, and diffusion on surfaces. Joachim Schnadt Divsion of Synchrotron Radiation Research Department of Physics
Adsorption, desorption, and diffusion on surfaces Joachim Schnadt Divsion of Synchrotron Radiation Research Department of Physics Adsorption and desorption Adsorption Desorption Chemisorption: formation
More informationInelastic Electronic Transport in the Smallest Fullerene C 20 Bridge
Niels Bohr Summer Institute 2005 Transport in mesoscopic and single-molecule systems 15-26 August 2005 - Workshop and summer school Inelastic Electronic Transport in the Smallest Fullerene C 20 Bridge
More informationBasic Laboratory. Materials Science and Engineering. Atomic Force Microscopy (AFM)
Basic Laboratory Materials Science and Engineering Atomic Force Microscopy (AFM) M108 Stand: 20.10.2015 Aim: Presentation of an application of the AFM for studying surface morphology. Inhalt 1.Introduction...
More informationLecture 26 MNS 102: Techniques for Materials and Nano Sciences
Lecture 26 MNS 102: Techniques for Materials and Nano Sciences Reference: #1 C. R. Brundle, C. A. Evans, S. Wilson, "Encyclopedia of Materials Characterization", Butterworth-Heinemann, Toronto (1992),
More informationCatalytic Activity of IrO 2 (110) Surface: A DFT study
Catalytic Activity of IrO 2 (110) Surface: A DFT study Jyh-Chiang Jiang Department of Chemical Engineering, National Taiwan University of Science and Technology (NTUST) NCTS-NCKU 9/7, 2010 Computational
More informationNoncontact lateral-force gradient measurement on Si 111-7Ã 7 surface with small-amplitude off-resonance atomic force microscopy
Noncontact lateral-force gradient measurement on Si 111-7Ã 7 surface with small-amplitude off-resonance atomic force microscopy Mehrdad Atabak a Department of Physics, Bilkent University, Bilkent, Ankara
More informationIntroduction to Scanning Probe Microscopy Zhe Fei
Introduction to Scanning Probe Microscopy Zhe Fei Phys 590B, Apr. 2019 1 Outline Part 1 SPM Overview Part 2 Scanning tunneling microscopy Part 3 Atomic force microscopy Part 4 Electric & Magnetic force
More informationS1. X-ray photoelectron spectroscopy (XPS) survey spectrum of
Site-selective local fluorination of graphene induced by focused ion beam irradiation Hu Li 1, Lakshya Daukiya 2, Soumyajyoti Haldar 3, Andreas Lindblad 4, Biplab Sanyal 3, Olle Eriksson 3, Dominique Aubel
More informationEFFECT OF TIP-SIZE ON STM IMAGES OF GRAPHITE
EFFECT OF TIP-SIZE ON STM IMAGES OF GRAPHITE C. Horie, H. Miyazaki To cite this version: C. Horie, H. Miyazaki. EFFECT OF TIP-SIZE ON STM IMAGES OF GRAPHITE. Journal de Physique Colloques, 1987, 48 (C6),
More informationForce-distance studies with piezoelectric tuning forks below 4.2K
submitted to APPLIED SURFACE SCIENCE nc-afm 99, Pontresina Force-distance studies with piezoelectric tuning forks below 4.2K J. Rychen, T. Ihn, P. Studerus, A. Herrmann, K. Ensslin Solid State Physics
More informationScanning Tunneling Microscopy: theory and examples
Scanning Tunneling Microscopy: theory and examples Jan Knudsen The MAX IV laboratory & Division of synchrotron radiation research K5-53 (Sljus) jan.knudsen@sljus.lu.se April 17, 018 http://www.sljus.lu.se/staff/rainer/spm.htm
More informationHelp me understanding the effect of organic acceptor molecules on coinage metals.
Help me understanding the effect of organic acceptor molecules on coinage metals. Gerold M. Rangger, 1 Oliver T. Hofmann, 1 Anna M. Track, 1 Ferdinand Rissner, 1 Lorenz Romaner, 1,2 Georg Heimel, 2 Benjamin
More informationSTM: Scanning Tunneling Microscope
STM: Scanning Tunneling Microscope Basic idea STM working principle Schematic representation of the sample-tip tunnel barrier Assume tip and sample described by two infinite plate electrodes Φ t +Φ s =
More informationSite- and orbital-dependent charge donation and spin manipulation in electron-doped metal phthalocyanines
Site- and orbital-dependent charge donation and spin manipulation in electron-doped metal phthalocyanines Cornelius Krull 1, Roberto Robles 2, Aitor Mugarza 1, Pietro Gambardella 1,3 1 Catalan Institute
More informationAdsorption and Reaction of ortho-carborane on Pt(111)
Adsorption and Reaction of ortho-carborane on Pt(111) Final Report David Siap August 3, 2006 REU Program Advisors: Professor Trenary Aashani Tillekaratne University of Illinois at Chicago Department of
More informationScanning Probe Microscopy (SPM)
CHEM53200: Lecture 9 Scanning Probe Microscopy (SPM) Major reference: 1. Scanning Probe Microscopy and Spectroscopy Edited by D. Bonnell (2001). 2. A practical guide to scanning probe microscopy by Park
More informationSupporting Online Material for
www.sciencemag.org/cgi/content/full/315/5819/1692/dc1 Supporting Online Material for Enhanced Bonding of Gold Nanoparticles on Oxidized TiO 2 (110) D. Matthey, J. G. Wang, S. Wendt, J. Matthiesen, R. Schaub,
More informationNoncontact-AFM (nc-afm)
Noncontact-AFM (nc-afm) Quantitative understanding of nc-afm A attractive interaction Δf Resonance frequency: f 0 Width of resonance curve (FWHM): Γ Γ+ΔΓ Γ Q-factor: Q π f Γ = 0 f 0 f Conservative forces
More informationIndex. C 60 buckminsterfullerene 87 C 60 buckminsterfullerene formation process
Index acetone 64 aluminum 64 65 arc-discharged carbon 25 argon ion laser 43 aromaticity 2D 99 3D 89 90, 98 planar 89 spherical 90 astronomy 113, 125, 127, 131 atoms chlorine 107 108 titanium 161 162 benzene
More informationDipole formation at metal/ptcda interfaces: Role of the Charge Neutrality Level
EUROPHYSICS LETTERS 15 March 2004 Europhys. Lett., 65 (6), pp. 802 808 (2004) DOI: 10.1209/epl/i2003-10131-2 Dipole formation at metal/ptcda interfaces: Role of the Charge Neutrality Level H. Vázquez 1,
More informationCoverage-Dependent Water Agglomerates on Fe 3 O 4 (001):
Coverage-Dependent Water Agglomerates on Fe 3 O 4 (001): From Partially-Dissociated Dimers and Trimers to a Hydrogen-Bonded Network Matthias Meier 1,2, Jan Hulva 2, Zdeněk Jakub 2, Jiří Pavelec 2, Martin
More informationDensity Functional Theory (DFT) modelling of C60 and
ISPUB.COM The Internet Journal of Nanotechnology Volume 3 Number 1 Density Functional Theory (DFT) modelling of C60 and N@C60 N Kuganathan Citation N Kuganathan. Density Functional Theory (DFT) modelling
More informationSUPPLEMENTARY INFORMATION
Magnetic Exchange Force Microscopy with Atomic Resolution Uwe Kaiser, Alexander Schwarz and Roland Wiesendanger S1 AFM set-up Figure S1 shows the block diagram of the AFM data acquisition set-up using
More informationElectronic Supplementary Material for Chemical Communications Measuring Si-C 60 chemical forces via single molecule spectroscopy
Electronic Supplementary Material for Chemical Communications Measuring Si-C 6 chemical forces via single molecule spectroscopy Cristina Chiutu, Andrew Stannard, Adam M Sweetman, and Philip Moriarty The
More informationGraphene Nanoribbons: A Route to Atomically Precise Nanoelectronics Mike Crommie
Graphene Nanoribbons: A Route to Atomically Precise Nanoelectronics Mike Crommie Dept. of Physics, UC Berkeley and Materials Science Division, LBNL Berkeley, CA Outline 1) Graphene Graphene Nanoribbon
More informationMSE640: Advances in Investigation of Intermolecular & Surface Forces
MSE640: Advances in Investigation of Forces Course Title Advances in investigation of Intermolecular & surface forces Course Code MSE640 Credit Hours 3 Pre-requisites (if any) MSE507, MSE508 or equivalent
More informationDirect Measurement of Electron Transfer through a Hydrogen Bond
Supporting Information Direct Measurement of Electron Transfer through a Hydrogen Bond between Single Molecules Tomoaki Nishino,*, Nobuhiko Hayashi, and Phuc T. Bui Nanoscience and Nanotechnology Research
More informationCrystalline Surfaces for Laser Metrology
Crystalline Surfaces for Laser Metrology A.V. Latyshev, Institute of Semiconductor Physics SB RAS, Novosibirsk, Russia Abstract: The number of methodological recommendations has been pronounced to describe
More informationSPM 150 Aarhus with KolibriSensor TM
Surface Analysis Technology Vacuum Components Surface Analysis System Software Computer Technology SPM 150 Aarhus with KolibriSensor TM Acquisition of atomic site specific force spectroscopy and two-dimensional
More informationElectronic structure theory: Fundamentals to frontiers. 2. Density functional theory
Electronic structure theory: Fundamentals to frontiers. 2. Density functional theory MARTIN HEAD-GORDON, Department of Chemistry, University of California, and Chemical Sciences Division, Lawrence Berkeley
More informationtip of a current tip and the sample. Components: 3. Coarse sample-to-tip isolation system, and
SCANNING TUNNELING MICROSCOPE Brief history: Heinrich Rohrer and Gerd K. Binnig, scientists at IBM's Zurich Research Laboratory in Switzerland, are awarded the 1986 Nobel Prize in physicss for their work
More informationSupporting Information. for. Angew. Chem. Int. Ed. Z Wiley-VCH 2003
Supporting Information for Angew. Chem. Int. Ed. Z52074 Wiley-VCH 2003 69451 Weinheim, Germany Kinetic and Thermodynamic Control via Chemical Bond Rearrangement on Si(001) Surface Chiho Hamai, Akihiko
More informationApplied Surface Science CREST, Japan Science and Technology Corporation JST, Japan
Ž. Applied Surface Science 130 13 1998 78 83 Selective chemical reaction of HBO molecules on the ž / Si 111-7 = 7 surface studied by scanning tunneling microscopy Koji Miyake a,), Masahiko Ishida a, Hidemi
More informationLecture 10 Thin Film Growth
Lecture 10 Thin Film Growth 1/76 Announcements Homework: Homework Number 2 is returned today, please pick it up from me at the end of the class. Solutions are online. Homework 3 will be set Thursday (2
More informationIntroduction to Density Functional Theory with Applications to Graphene Branislav K. Nikolić
Introduction to Density Functional Theory with Applications to Graphene Branislav K. Nikolić Department of Physics and Astronomy, University of Delaware, Newark, DE 19716, U.S.A. http://wiki.physics.udel.edu/phys824
More informationElectronic Structure Theory for Periodic Systems: The Concepts. Christian Ratsch
Electronic Structure Theory for Periodic Systems: The Concepts Christian Ratsch Institute for Pure and Applied Mathematics and Department of Mathematics, UCLA Motivation There are 10 20 atoms in 1 mm 3
More informationSupporting information
Electronic Supplementary Material (ESI) for Nanoscale. This journal is The Royal Society of Chemistry 2014 Supporting information Self-assembled nanopatch with peptide-organic multilayers and mechanical
More informationScanning Probe Microscopies (SPM)
Scanning Probe Microscopies (SPM) Nanoscale resolution af objects at solid surfaces can be reached with scanning probe microscopes. They allow to record an image of the surface atomic arrangement in direct
More informationSupporting Information: Engineering the thermopower of C 60 molecular junctions
Supporting Information: Engineering the thermopower of C 60 molecular junctions Charalambos Evangeli, Katalin Gillemot, Edmund Leary, M. Teresa González, Gabino Rubio-Bollinger, Colin J. Lambert, NicolásAgraït
More informationDesign of Efficient Catalysts with Double Transition Metal. Atoms on C 2 N Layer
Supporting Information Design of Efficient Catalysts with Double Transition Metal Atoms on C 2 N Layer Xiyu Li, 1, Wenhui Zhong, 2, Peng Cui, 1 Jun Li, 1 Jun Jiang 1, * 1 Hefei National Laboratory for
More informationSelf assembly of Carbon Atoms in Interstellar Space and Formation Mechanism of Naphthalene from Small Precursors: A Molecular Dynamics Study
Self assembly of Carbon Atoms in Interstellar Space and Formation Mechanism of Naphthalene from Small Precursors: A Molecular Dynamics Study Niladri Patra UIC Advisor: Dr. H. R. Sadeghpour ITAMP Large
More informationSupplementary Information:
Supplementary Figures Supplementary Information: a b 1 2 3 0 ΔZ (pm) 66 Supplementary Figure 1. Xe adsorbed on a Cu(111) surface. (a) Scanning tunnelling microscopy (STM) topography of Xe layer adsorbed
More informationScanning tunneling microscopy
IFM The Department of Physics, Chemistry and Biology Lab 72 in TFFM08 Scanning tunneling microscopy NAME PERS. - NUMBER DATE APPROVED Rev. Dec 2006 Ivy Razado Aug 2014 Tuomas Hänninen Contents 1 Introduction
More information