• Title/Summary/Keyword: Binding free energy

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Heteroepitaxial Growth of ZnO Thin Films by PLD (레이저증착법을 이용한 ZnO 이종에피탁시 박막성장)

  • 박재영;이병택;김상섭;이재목;제정호
    • Proceedings of the Materials Research Society of Korea Conference
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    • 2003.03a
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    • pp.113-113
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    • 2003
  • ZnO 박막은 p형 도핑방법이 점차 알려 지면서 최근 차세대 발광소자 재료로서 주목을 받고 있으며, 우수한 전자 이동도, 우수한 홀 이동도, 발광 스펙트럼(PL) 피크의 날카로움, 높은 free exciton binding energy, 방사선 노출에 대한 큰 내구성, 습식 식각이 가능, 동종 기판 사용이 가능함으로써 박막의 품질을 개선할 수 있고 제조공정을 간소화할 수 있는 등의 장점을 지니고 있어 이에 관련된 많은 연구들이 진행되고 있다. 특히 ZnO 박막을 차세대 발광소자로 응용하기 위해서는 고품질의 에피탁시 박막을 성장시켜야 하며 이를 위하여 MBE, MOCVD, PLD법 등 다양한 에피탁시 박막증착이 시도되고 있다. 또한 보다 양질의 ZnO 박막을 성장시키기 위해 적절한 단결정 기판 및 버퍼층의 탐색과 각 기판에 따른 ZnO 박막의 물성평가 작업도 진행되고 있다.

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A Short Review on the Application of Combining Molecular Docking and Molecular Dynamics Simulations in Field of Drug Discovery

  • Kothandan, Gugan;Ganapathy, Jagadeesan
    • Journal of Integrative Natural Science
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    • v.7 no.2
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    • pp.75-78
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    • 2014
  • Computer-aided drug design uses computational chemistry to discover, enhance, or study drugs and related biologically active molecules. It is now proved to be effective in reducing costs and speeding up drug discovery. In this short review, we discussed on the importance of combining molecular docking and molecular dynamics simulation methodologies. We also reviewed the importance of protein flexibility, refinement of docked complexes using molecular dynamics and the use of free energy calculations for the calculation of accurate binding energies has been reviewed.

Vibration Characteristics of the Floor Structures inserted with Damping Materials (제진재가 삽입된 바닥 구조의 진동특성)

  • Jeong, Young;Yoo, Seung-Yub;Jeon, Jin-Yong;Park, Jun-Hong
    • Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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    • 2005.11a
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    • pp.377-380
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    • 2005
  • Damping materials encompass a broad range of materials, including, but not limits to, pressure sensitive adhesives, epoxies, rubbers, foams, thermoplastics, enamels and mastics. Their common characteristic is that their modulus is represented by a complex quantity, possessing both a stored and dissipative energy component. Loss factor of damping material analyzed more than 2 times than rubber to 1.5 $\sim$ 2.3, could know that Damping layer has excellent attenuation performance in side of vibration reduction. Measurements of vibration using accelerometers by adhesion of Damping layer, square Plate by Separation of Damping layer is less binding of Damping layer, analyzed low loss factor and Natural Frequency by free Vibration of Square Plate.

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Surface analysis of CuSn thin films obtained by rf co-sputtering method

  • Gang, Yu-Jin;Park, Ju-Yeon;Jeong, Eun-Gang;Gang, Yong-Cheol
    • Proceedings of the Korean Vacuum Society Conference
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    • 2015.08a
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    • pp.175.1-175.1
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    • 2015
  • CuSn thin films were deposited by rf magnetron co-sputtering method with pure Cu and Sn metal targets with a variety of rf powers. CuSn thin films were studied with a surface profiler (alpha step), X-ray photoelectron spectroscopy (XPS), X-ray induced Auger electron spectroscopy (XAES), X-ray diffraction (XRD), and contact angle measurement. The thickness of CuSn thin films was fixed at $200{\pm}10nm$ and deposition rate was calculated by the measured with a surface profiler. From the survey XPS spectra, the characteristic peaks of Cu and Sn were observed. Therefore, CuSn thin films were successfully synthesized on the Si (100) substrate. The oxidation state and chemical environment of Cu and Sn were investigated with the binding energy regions of Cu 2p XPS spectra, Sn 3d XPS spectra, and Cu LMM Auger spectra. Change of the crystallinity of the films was observed with XRD spectra. Using contact angle measurement, surface free energy (SFE) and wettability of the CuSn thin films were studied with distilled water (DW) and ethylene glycol (EG).

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Photoluminescent and crystallographic characterization of CdTe {111} surfaces grown by the ertical Bridgman method (수직 Bridgman 방법으로 성장된 CdTe {111} 면의 결정학과 광발광 특성)

  • Jeong, T. S.;Park, E. O.;Yu, P. Y.;Kim, T. S.;Lee, H.;Shin, Y. J.;Hong, K. J.
    • Journal of the Korean Vacuum Society
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    • v.8 no.3B
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    • pp.297-301
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    • 1999
  • High quality CdTe single crystal for the solar cell fabrication was grown by vertical Bridgman method. The etch pits patterns of {111} surfaces of CdTe etched by Nakagawa solution was observed the {11} A composed of Cd atoms with typical triangle etch pits of pyramid mode. From the photoluminescence measurement of {111} A, we observed free exciton $(E_x)$ existing only high quality crystal and neutral acceptor bound exciton ($A^{\circ}$, X) having very strong peak intensity. Then, the full width at half maximum and binding energy of neutral acceptor bound exciton were 7 meV and 5.9 meV, respectively. By Haynes rule, and activation energy of impurity was 59meV. Therefore, the origins on impurity level acting as a neutral acceptor were associated Ag or Cu elements.

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The Study of Growth and Characterization of CuGaSe$_2$ Sing1e Crystal Thin Films for solar cell by Hot Wall Epitaxy (HWE(Hot Wall Epitaxy)에 의한 태양 전지용 박막성장과 특성에 관한 연구)

  • 홍광준
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2001.07a
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    • pp.237-242
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    • 2001
  • The stochiometric mix of evaporating materials for the CuGaSe$_2$ single crystal thin films was prepared from horizontal furnace. To obtain the single crystal thin films, CuGaSe$_2$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were 610$^{\circ}C$ and 450$^{\circ}C$, respectively The crystalline structure of single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). From the photocurrent spectrum by illumination of perpendicular light on the c-axis of the CuGaSe$_2$ single crystal thin film, we have found that the values of spin orbit splitting Δ So and the crystal field splitting ΔCr were 91 meV and 249.8 meV at 20 K, respectively. From the Photoluminescence measurement on CuGaSe$_2$ single crystal thin film, we observed free excition (Ex) existing only high quality crystal and neutral bound exiciton (D$^{\circ}$,X) having very strong peak intensity. Then, the full-width-at-half-maximum(FWHM) and binding energy 7f neutral acceptor bound excision were 8 meV and 35.2 meV, respectivity. By Haynes rule, an activation energy of impurity was 355.2 meV

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Growth and Optical Properties for $AgGaSe_2$ Single Crystal Thin Films by Hot Wall Epitaxy (Hot Wall Epitaxy (HWE)법에 의한$AgGaSe_2$ 단결정 박막 성장과 광학적 특성)

  • Hong, Kwang-Joon;Back, Seoung-Nam
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2003.11a
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    • pp.124-127
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    • 2003
  • The stochiometric $AgGaSe_2$ polycrystalline mixture of evaporating materials for the $AgGaSe_2$ single crystal thin film was prepared from horizontal furnance. To obtain the single crystal thin films, $AgGaSe_2$ mixed crystal and semi-insulating GaAs(100) wafer were used as source material and substrate for the Hot Wall Epitaxy (HWE) system, respectively. The source and substrate temperature were fixed at $630^{\circ}C$ and $420^{\circ}C$, respectively. The thickness of grown single crystal thin films is $2.1{\mu}m$. The single crystal thin films were investigated by photoluminescence and double crystal X-ray diffraction(DCXD) measurement. From the photoluminescence measurement of $AgGaSe_2$ single crystal thin film, we observed free excition ($E_x$) observable only in high quality crystal and neutral bound excition ($D^{\circ}$,X) having very strong peak intensity. And, the full width at half maximum and binding energy of neutral donor bound excition were 8 meV and 14.1 meV, respectively. By Haynes rule, an activation energy of impurity was 141 meV.

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A study on the growth and characteristics of $AgGaS_2$ single crystal thin film by hot wall epitaxy (HWE 방법에 의한 $AgGaS_2$단결정 박막성장과 특성에 관한 연구)

  • 홍광준;정준우
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.8 no.2
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    • pp.211-220
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    • 1998
  • The stochiometric composition of $AgGaS_2$polycrystal source materials for the single crystal thin films were prepared from horizontal furnace. From the extrapolation method of X-ray diffraction patterns, it was found that the polycrystal $AgGaS_2$has tetragonal structure of which lattice constant $a_0\;and \;c_0$ were 5.756 $\AA$ and 10.305 $\AA$, respectively. $AgGaS_2$single crystal thin film was deposited on throughly etched GaAs(100) substrate from mixed crystal $AgGaS_2$by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were $590^{\circ}C$ and $440^{\circ}C$ respectively, and the growth rate of the single crystal thin films was about 0.5 $mu \textrm{m}$/h. The crystallinity of the grown single crystal thin films was investigated by the DCRC (double crystal X-ray diffraction rocking curve). The optical energy gaps were found to be 2.61 eV for $AgGaS_2$single crystal thin films at room temperature. The temperature dependence of the photocurrent peak energy is well explained by the Varshni equation, then the constants in the Varshni equation are given by${\Alpha};=;8.695{\times}10^{-4};eV/K,and;{\beta};=;332;K$. from the photocurrent spectra by illumination of polarized light of the $AgGaS_2$single crystal thin film, we have found that crystal field splitting $\Delta$Cr was 0.28 eV at 20 K. From the PL spectra at 20 K, the peaks corresponding to free and bound excitons and a broad emission band due to D-A pairs are identified. The binding energy of the free excitons are determined to be 0.2676 eV and 0.2430 eV and the dissociation energy of the bound excitons to be 0.4695 eV.

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Growth and Characterization of ZnSe Thin Film for Blue Diode (청색 Diode 개발을 위한 ZnSe 박막성장과 특성에 관한 연구)

  • 박창선;홍광준
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2001.07a
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    • pp.533-538
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    • 2001
  • The ZnSe sample grown by chemical bath deposition (CBD) method were annealed in Ar gas at 450$^{\circ}C$ Using extrapolation method of X-ray diffraction pattern, it was found to have zinc blend structure whose lattice parameter a$\_$o/ was 5.6687 ${\AA}$. From Hall effect, the mobility was likely to be decreased by impurity scattering at temperature range from 10 K to 150 K and by lattice scattering at temperature range from 150 K to 29 3K. The band gap given by the transmission edge changed from 2.7005 eV at 293 K to 2.8739 eV at 10 K. Comparing photocurrent peak position with transmission edge, we could find that photocurrent peaks due to excition electrons from valence band, $\Gamma$$\_$8/ and $\Gamma$$\_$7/ to conduction band $\Gamma$$\_$6/ were observed at photocurrent spectrum. From the photocurrent spectra by illumination of polarized light on the ZnSe thin film, we have found that values of spin orbit coupling splitting Δso is 0.0981 eV. From the PL spectra at 10 K, the peaks corresponding to free bound excitons and D-A pair and a broad emission band due to SA is identified. The binding energy of the free excitons are determined to be 0.0612 eV and the dissipation energy of the donor -bound exciton and acceptor-bound exciton to be 0.0172 eV, 0.0310 eV, respectively.

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Growth and Characterization of CuGaTe$_2$ Sing1e Crystal Thin Films by Hot Wall Epitaxy (Hot Wall Epitaxy (HWE) 방법에 의한 CuGaTe$_2$ 단결정 박막 성장과 특성)

  • 유상하;홍광준
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2002.07a
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    • pp.273-280
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    • 2002
  • The stochiometric mix of evaporating materials for the CuGaTe$_2$ single crystal thin films was prepared from horizontal furnance. For extrapolation method of X-ray diffraction patterns for the CuGaTe$_2$ polycrystal, it was found tetragonal structure whose lattice constant a$\_$0/ and c$\_$0/ were 6.025 ${\AA}$ and 11.931 ${\AA}$, respectively. To obtain the single crystal thin films, CuGaTe$_2$ mixed crystal was deposited on throughly etched semi-insulator GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were 670 $^{\circ}C$ and 410 $^{\circ}C$ respective1y, and the thickness of the single crystal thin films is 2.1 $\mu\textrm{m}$. The crystalline structure of single crystalthin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). Hall effect on this sample was measured by the method of van der Pauw and studied on carrier density and mobility dependence on temperature. The carrier density and mobility of CuGaTe$_2$ single crystal thin films deduced from Hall data are 8.72${\times}$10$\^$23/㎥, 3.42${\times}$10$\^$-2/㎡/V$.$s at 293K, respectively. From the photocurrent spectrum by illumination of perpendicular light on the c - axis of the CuGaTe$_2$ single crystal thin film, we have found that the values of spin orbit coupling Δs.o and the crystal field splitting Δcr were 0.0791 eV and 0/2463eV at 10K, respectively. From the PL spectra at 10K, the peaks corresponding to free bound excitons and D-A pair and a broad emission band due to SA is identified. The binding energy of the free excitons are determined to be 0.0470eV and the dissipation energy of the donor -bound exciton and acceptor-bound exciton to be 0.0490eV, 0.00558eV, respectively.

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