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      • Optimizing Channel Access in Wireless Local Area Network Environments with a New Backoff Approach

        Hao-Ming Liang,Ce-Kuen Shieh,Sherali Zeadally,Naveen K Chilamkurti 보안공학연구지원센터 2009 International Journal of Multimedia and Ubiquitous Vol.4 No.2

        Over the past few years, several backoff algorithms such as Exponential Increase Exponential Decrease (EIED) and Adaptive Enhanced Distributed Coordination Function (AEDCF)) have been proposed for wireless local area networks to improve channel access. We propose a new backoff technique that monitors the number of backoff counter pauses experienced and modifies the contention window accordingly. We evaluate and compare the performance of our proposed approach with EIED and AEDCF channel access techniques. Our simulations results, obtained under different network conditions, show improved performance for metrics such as the fairness index and end-to-end delay.

      • SCOPUSKCI등재

        Hydrogen Bonding Dynamics of Phenol-(H<sub>2</sub>O)<sub>2</sub> Cluster in the Electronic Excited State: a DFT/TDDFT Study

        Wang, Se,Hao, Ce,Wang, Dandan,Dong, Hong,Qiu, Jieshan Korean Chemical Society 2011 대한화학회지 Vol.55 No.3

        The time-dependent density functional theory (TDDFT) method has been carried out to investigate the excitedstate hydrogen-bonding dynamics of phenol-$(H_2O)_2$ complex. The geometric structures and infrared (IR) spectra in ground state and different electronically excited states ($S_1$ and $T_1$) of the hydrogen-bonded complex have been calculated using the density functional theory (DFT) and TDDFT method. A ring of three hydrogen bonds is formed between phenol and two water molecules. We have demonstrated that the intermolecular hydrogen bond $O_1-H_2{\cdots}O_3-H$ of the three hydrogen bonds is strengthened in $S_1$ and $T_1$ states. In contrast, the hydrogen bond $O_5-H_6{\cdots}O_1-H$ is weakened in $S_1$ and $T_1$ states. These results are obtained by theoretically monitoring the changes of the bond lengths of the hydrogen bonds and hydrogen-bonding groups in different electronic states. The hydrogen bond $O_1-H_2{\cdots}O_3-H$ strengthening in both the $S_1$ and $T_1$ states is confirmed by the calculated stretching vibrational mode of O-H (phenol) being red-shifted upon photoexcitation. The hydrogen bond strengthening and weakening behavior in electronically excited states may exist in other ring structures of phenol-$(H_2O)_n$. Phenol-$(H_2O)_2$ 착물의 여기상태 수소 결합 동력학을 시간 의존 밀도 함수 이론(TDDFT) 법으로 연구하였다. 수소-결합된 착물에 대한 바닥 상태 및 다른 전자 여기 상태들 ($S_1$와 $T_1$)에서의 기하학적 구조와 IR 스펙트라를 밀도 함수 이론(DFT)와 TDDFT 방법을 사용하여 계산하였다. 페놀과 두 물분자 간에 3개의 수소 결합으로 구성된 고리가 형성되었다. 세 개의 수소 결합에서 분자간 수소결합 $O_1-H_2{\cdots}O_3-H$은 $S_1$ 그리고 $T_1$ 상태에서 더 강해졌지만, 수소결합 $O_5-H_6{\cdots}O_1-H$은 $S_1$과 $T_1$상태에서 약해졌다. 이러한 결과들은 다른 전자 상태에서 수소 결합과 hydrogen-bonding groups의 결합 길이의 변화를 이론적으로 모니터링하여 얻었다. 수소 결합 $O_1-H_2{\cdots}O_3-H$가 $S_1$와 $T_1$ 상태 모두에서 강화된다는 것은 OH(phenol)의 계산된 신축 진동 모드가 광 여기에 의해 적색-이동한다는 것으로부터 확인 되었다. 전자 여기 상태에서 수소 결합이 강해지고 약해지는 행동은 phenol-$(H_2O)_n$의 다른 고리 구조에 존재할 수 있다.

      • KCI등재

        Molecular simulation of adsorption of NO and CO2 mixtures by a Cu-BTC metal organic framework

        Guanghao Meng,Xuedan Song,Min Ji,Juanyuan Hao,Yantao Shi,Suzhen Ren,Jieshan Qiu,Ce Hao 한국물리학회 2015 Current Applied Physics Vol.15 No.9

        Environmental problems due to the discharge of gases, including NO and CO2, in addition, diseases caused by improper concentration of NO and CO2 in vivo must be resolved. In this study, Grand canonical Monte Carlo (GCMC) simulations are combined with density functional theory (DFT) to calculate the adsorption of NO and CO2 from a dual-component mixture to the Cu-BTC metal organic framework. The results show that the adsorption isotherms for various molar ratios of the gaseous mixture followed a Langmuir distribution. At higher pressures more CO2 than NO was adsorbed by Cu-BTC, with NO showing a tendency to desorb. However, better results for adsorption of NO were observed at lower pressures. For the different pressure and molar ratios of the gaseous mixture examined, more CO2 than NO was always adsorbed. Compared with three-way catalysts, Cu-BTC offers benefits to adsorption of CO2 and NO from gaseous mixtures without increased durability problems.

      • KCI등재

        Theoretical insight into the carrier mobility anisotropy of hole transport material Spiro-OMeTAD

        Guanghao Meng,Yantao Shi,Xuedan Song,Min Ji,Yuan Xue,Ce Hao 한국물리학회 2017 Current Applied Physics Vol.17 No.10

        All-solid-state organic-inorganic halide perovskite solar cells (PSCs) have attracted wide attention due to the rapid progress of power conversion efficiency in recent years. Hole transport material (HTM) in PSCs plays the role of extracting and transporting photo-excited holes. Anisotropy of carrier mobility is one important property for semiconductors, however, which still remains unclear for the dominant HTM spiro-OMeTAD used in PSCs. Based on Density Functional Theory (DFT) and Marcus theory, we for the first time conducted investigations on the anisotropy of carrier mobility along representative crystal planes of spiro-OMeTAD by recombination energy l and electronic coupling integral V. Results indicate that the holes and electrons show transport orientations consistency parallel to the (010), (101) and (111) crystal planes while inconsistency was found parallel to (100), (110), (011) and (001) crystal planes (with an angle ranged from 40 to 70 between the hole and electron transport directions). Our work embodies the theoretical significance of controllable and oriented fabrication of HTM in PSCs.

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