First principles study on surface modification of antimony doped tin dioxide nanoparticles

... FIRST PRINCIPLES STUDY ON SURFACE MODIFICATION OF ANTIMONY DOPED TIN DIOXIDE NANOPARTICLES Mong Yu Siang (B.Sc (Hons), NUS) A THESIS SUBMITTED FOR THE DEGREE OF MASTER OF SCIENCE DEPARTMENT OF ... Such a method would involve the surface functionalization of nanoparticles 1.2: Introduction to surface modification Surface functionalization of semicond...

Ngày tải lên: 06/10/2015, 21:06

... nanoribbons ZTG zero transmission gap Chapter Introduction 1.1 The bottleneck of silicon -based electronics Modern electronics relies on the capabilities of semiconductor components to control electron ... carbon chain has (a) sp connection with carbon chain leads; (b) sp2 connection with carbon ribbon leads (optimized); (c) sp3 connection with capped carbon nanotube leads; (d) sp3 con...

Ngày tải lên: 09/09/2015, 18:48

... Synthesis and characterization of NaYF4: Yb,Er UC nanoparticles and surface modification of UC nanoparticles by undoped NaYF4 shell coating (Chapter 3) Surface modification of UC nanoparticles by amino ... and NaYF4: Yb,Er nanoparticles in hexane 38 Figure 3.6 Energy level diagram of NaYF4: Yb,Er nanoparticles (versus vacuum) 38 Figure 3.7 XRD powder patte...

Ngày tải lên: 09/09/2015, 10:20

... FIRST PRINCIPLES STUDY OF BENZENE ADSORPTION ON TRANSITION METAL SURFACES HONG WON KEON (B Eng.(Hons.), Sungkyunkwan University, Republic of Korea) A THESIS SUBMITTED FOR THE DEGREE OF MASTER ... Electron volt fcc Face-centered cubic hcp Hexagonal closed-packed ΔEads Adsorption energy ΔHads Heat of Adsorption ΔΦ Change in workfunction of metal surface upon a...

Ngày tải lên: 06/10/2015, 21:06

... study iv ABSTRACT This thesis is devoted to examining the comparative effectiveness of some CLT approach classroom activities in teaching vocabulary to first year non- major students at the Academy ... CLT classroom activities in teaching vocabulary to first year non- English major students at the Academy of Journalism and Com...

Ngày tải lên: 07/09/2013, 13:04

... 1028 C-SWNT We develop structural models for S-doping in capped (5, 5) C-SWNTs The different doping positions of S atom are provided We present the accurate values of workfunction of S-doped C-SWNT ... and analyze the change of the electronic structures without external electric field and under external electric field It can be found that the electronic structures of...

Ngày tải lên: 21/06/2014, 18:20

... the shapes and the sizes of the primitive cell of the silicon nanonets, Bj indicates the bore diameters of the nanopore, Wk is the minimal widths of the nanowall, Pn means the porosities of the ... passivated nanonets The pore wall width is the key factor in deciding the band gap of the nanonets With the decreases of the pore wall width, th...

Ngày tải lên: 22/06/2014, 01:20

... energies of transition metals in ZnO nanowires and bulk, and the magnetic coupling properties of the TMs in the two systems A brief summary of the letter is given in Sect ‘‘Summary’’ 481 Fig a The ZnO ... view of the ferromagnetic coupling and antiferromagnetic coupling between the two Cr atoms doped in ZnO nanowires The 3d levels are showed and the energy le...

Ngày tải lên: 22/06/2014, 01:20

... Table 3: Intensity of infection with Cryptosporidium and Giardia in dogs related to average age All samples from individual dogs Intensity of infectiona Intensity of infectiona Giardia Number of samples ... for Cryptosporidium at 3, 4, and 12 months of age, or at more than one sampling Figure itive dogs Occurrence of Cryptosporidium and/ or Giardia among...

Ngày tải lên: 12/08/2014, 18:22

... research namely The influences of some first cultural factors on first year non -English major students’ participation in English speaking learning at HaUI” to identify the first cultural factors ... learners 39 PART C: CONCLUSION Recapitulation This study aimed at finding out the cultural factors affecting the participation of firs...

Ngày tải lên: 10/07/2015, 14:50

... 3acc √ x−y , ˆ ˆ (1. 2) CHAPTER INTRODUCTION TO GRAPHENE- RELATED MATERIALS b1 (b) a2 a2 Κ' a1 A a1 b2 (a) Μ B Y Γ Κ X Figure 1. 1: (a) The atomistic model of the hexagonal network of graphene; the ... INTRODUCTION TO GRAPHENE- RELATED MATERIALS = Figure 1. 2: The three equivalent Clar structures of graphene ing strength of 42 Nm -1 and Young’s modulus of 1. 0 TPa w...

Ngày tải lên: 09/09/2015, 11:21

... the graphene moiré pattern on Ru(0001), Co atoms nucleate in both valley regions, 22 5 while Rh, 22 6 Pt, 22 7 ,22 8 Pd, 22 6 and Ru 21 2 atoms preferentially deposit in the Cfcc valley, while Au 22 6 ... orbitals Consider a bond made up of two orbitals: ψ = c1 φ1 + c2 2 (5 .2) If ψ is normalized, then |ψ |2 dr = = |c1 φ1 + c2 2 |2 dr = c2 + c2 + 2c1 c2 S 12 , (5.3) where S 12...

Ngày tải lên: 09/09/2015, 11:22

... N=3p+2 1.111 1 .38 3 1.4 23 1. 438 1. 433 1.441 1. 433 1. 438 1.4 23 1 .38 3 Figure 6 .3: The three families of AGNR-N: the N = 3p family has only one possible Clar’s structure, the N = 3p + family has ... intrinsic strength of monolayer graphene Science, 32 1, 38 5 38 8 (2008) [14] Moser, J., Barreiro, A., and Bachtold, A Current-induced cleaning of graphene Appl Phys Lett., 91...

Ngày tải lên: 09/09/2015, 11:22

... Remarks The study was aimed to explore the perception and reproduction of sentence intonation by non-major first year students at University of Sciences – TNU The tools (WASP and Online Audio Recorder) ... than the tasks assigned They probably lost in the comprehension of the conversations so that they gave the wrong intonation contours 3.2 Summ...

Ngày tải lên: 13/09/2015, 22:15