A DFT study of hydrogen adsorption on Ca decorated hexagonal B36 with van der Waals corrections (English)
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In:
Physica E: Low-Dimensional Systems and Nanostructures
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114
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2019
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ISSN:
- Article (Journal) / Electronic Resource
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Title:A DFT study of hydrogen adsorption on Ca decorated hexagonal B36 with van der Waals corrections
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Contributors:Liu, Pingping ( author ) / Liu, Fangming ( author ) / Peng, Yuan ( author ) / Wang, Qiming ( author ) / Juan, Ren ( author )
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Published in:
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Publication date:2019-05-23
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 114
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
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Nano-optical filter based on multicavity coupled photonic crystal ring resonatorRajasekar, R. / Jayabarathan, Jayson K. / Robinson, S. et al. | 2019
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First-principles investigations of a new trigonal boron nitrideCai, Xing Hong / Mei, Hua Yue / Tang, Mei / Hui, Qun / Zheng, Shaohui / Song, Qunliang / Wang, Min et al. | 2019
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Nanohybrids cadmium selenide-reduced graphene oxide for improving photo-degradation of methylene bluePatidar, Dinesh / Yadav, Anil / Paul, Devina Rattan / Sharma, Anshu / Nehra, S.P. et al. | 2019
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Phase diagrams of kekulene-like nanostructureQuan, Xing-Wei / Si, Nan / Zhang, Fan / Meng, Jing / Miao, Hai-Ling / Zhang, Yan-li / Jiang, Wei et al. | 2019
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Energy spectrum analysis of a realistic single-electron Ga1−xAlxAs/GaAs/Ga1−xAlxAs quantum V-groove in external electric fieldGiraldo-Tobón, Eugenio / Ospina, Walter / Miranda, Guillermo L. / Fulla, M.R. et al. | 2019
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Ge2Sb2Te5 nanobelts by femtosecond laser direct writing for resistive switching devicesDai, Yang / Wang, Heng / Tao, Hualu / Li, Wenjie / Li, Weimin / Yang, Chunlei et al. | 2019
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Tight binding theory of thermal conductivity of doped carbon nanotubeChegel, Raad / Behzad, Somayeh et al. | 2019
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An ab initio study of the ferroelectric In2Se3/graphene heterostructureAyadi, T. / Debbichi, L. / Badawi, M. / Said, M. / Kim, H. / Rocca, D. / Lebègue, S. et al. | 2019
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Effect of lithium nanosandwiching on the structural, optical and dielectric performance of MoO3Al Garni, S.E. / Qasrawi, A.F. et al. | 2019
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Dirac spectrum in gated multilayer black phosphorus nanoribbonsForte, Johnathas D.S. / de Sousa, Duarte J.P. / Pereira, J. Milton Jr. et al. | 2019
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Band structures and optical properties of Ag and Al co-doped ZnO by experimental and theoretic calculationChen, Haixia / Qu, Yongfeng / Sun, Liang / Peng, Jianhong / Ding, Jijun et al. | 2019
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First-principle study of NO2 adsorption and detection on the edges of zigzag nitride nanoribbonsYogi, Rachana / Jaiswal, Neeraj K. et al. | 2019
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Theoretical investigation of the structural and electronic properties of BN/GaN superlattices growth along various crystallographic axesOukli, Mimouna / Mehnane, Noureddine / Oukli, Nabila / Bouiadjra, Bachir Bachir / Belghoul, Hafida et al. | 2019
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Density functional theory model for carbon dot surfaces and their interaction with silver nanoparticlesAmbrusi, R.E. / Arroyave, J.M. / Centurión, M.E. / Di Nezio, M.S. / Pistonesi, M.F. / Juan, A. / Pronsato, M.E. et al. | 2019
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Anisotropy transport in monolayer black phosphorus under period magnetic modulationLi, Wenxing / Cheng, Fang et al. | 2019
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Symmetry of rigid-layer modes: Raman and infrared activityPopović, Zoran P. / Nikolić, Božidar / Milošević, Ivanka / Damnjanović, Milan et al. | 2019
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Band gap tunability and structural stability of metal/nonmetal codoped group-IV tin nanotubes: Effect of spin-orbit couplingAbbasi, Amirali / Khataee, Alireza et al. | 2019
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Strain effects on magnetic states of monolayer MoS2 doped with group IIIA to VA atomsZhang, Sifan / Li, Zhenqing / Li, Jin / Hao, Guolin / He, Chaoyu / Ouyang, Tao / Zhang, Chunxiao / Tang, Chao / Zhong, Jianxin et al. | 2019
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Interesting features of the edge states in topological quantum dotsPang, Mi / Ma, Yao / Wu, Xiao Guang et al. | 2019
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Magnetophonon resonance in quantum wells due to absorption and emission of confined phononHien, Nguyen Dinh et al. | 2019
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Sensing and absorbing of sulfur mustard using Pt-decorated graphene from first-principles calculationsHu, Xiaoying / Liu, Miao / Liu, Xinyue / Ma, Yongxiang / Nan, Haoshan / Bi, Dongmei / Qiao, Liang / Li, Yangen et al. | 2019
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Dynamical and static spin structure factors of Heisenberg antiferromagnet on honeycomb lattice in the presence of Dzyaloshinskii-Moriya interactionAzizi, F. / Rezania, H. et al. | 2019
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Vibration frequency analysis of rippled single-layered graphene sheet: Toward the nano resonant devices designZhang, Zeyi / Lan, Lan / Wang, Yafei / Wang, Changguo et al. | 2019
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Polyaniline emeraldine salt as an ammonia gas sensor - Comparison of quantum-based simulation with experimentSustkova, Hana / Posta, Alexandr / Voves, Jan et al. | 2019
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Structural, optical and dielectric studies of Ag nanoparticles decorated by herceptinJafarzadeh, Naser / Nadafan, Marzieh / Malekfar, Rasoul / Shakeri-Zadeh, Ali / Meidanchi, Alireza / Eynali, Samira et al. | 2019
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Nonradiative resonance energy transfer in the quantum dot systemChikalova-Luzina, O.P. / Samosvat, D.M. / Vyatkin, V.M. / Zegrya, G.G. et al. | 2019
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Electronic and transport features of sawtooth penta-graphene nanoribbons via substitutional dopingTien, Nguyen Thanh / Thao, Pham Thi Bich / Phuc, Vo Trung / Ahuja, Rajeev et al. | 2019
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Thermal vibration of MoS2/Black phosphorus Bi-layered heterostructureZhang, Yiqing / Wang, Lifeng / Jiang, Jingnong et al. | 2019
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Transient dynamics of pulse-driven memristors in the presence of a stable fixed pointSlipko, Valeriy A. / Pershin, Yuriy V. et al. | 2019
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The optimal ranges for the optical properties of two-electron quantum dot immersed in plasmasBahar, M.K. / Ungan, F. / Soylu, A. et al. | 2019
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Theoretical studies on B, N, P, S, and Si doped fullerenes toward H2S sensing and adsorptionYousefian, Zohreh / Ghasemy, Ebrahim / Askarieh, Mojtaba / Rashidi, Alimorad et al. | 2019
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Solution processed Copper Phthalocyanine nanowires: A promising supercapacitor anode materialSamanta, Madhupriya / Howli, Promita / Ghorai, Uttam K. / Mukherjee, Moumita / Bose, Chayanika / Chattopadhyay, Kalyan K. et al. | 2019
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New insight into the gas-sensing properties of nanofiber-assembled and nanosheet-assembled hierarchical MoO3 structuresJi, Haocheng / Zeng, Wen / Li, Yanqiong et al. | 2019
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Wave packet propagation through branched quantum rings under applied magnetic fieldsDoctor Sousa, Ariel Adorno A Sousa / Doctor Chaves, Andrey / Doctor Pereira, Teldo A.S. / Doctor Farias, Gil de Aquino / Doctor Peeters, François Maria Peeters et al. | 2019
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Photon-assisted transport through an Aharonov–Bohm ring with a side-coupled double quantum dotsZhao, Zhiyun / Min, Yi / Huang, Yanyan / 赵志云 / 闵意 / 黄艳艳 et al. | 2019
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Theoretical studies and tuning the electronic and optical properties of Zr2CO2 monolayer using biaxial strain effect: Modified Becke–Johnson calculationMostafaei, Alireza / Faizabadi, Edris / Semiromi, Ebrahim Heidari et al. | 2019
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Quantum conductance in edge functionalized stanene nanoribbons: A first-principle studyKumar, Vipin / Shukla, Shobha / Saxena, Sumit et al. | 2019
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Tunable mirrors and filters in 1D photonic crystals containing polymersJena, S. / Tokas, R.B. / Thakur, S. / Udupa, D.V. et al. | 2019
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Different crystalline phases of aligned TiO2 nanowires and their ethanol gas sensing propertiesZhou, Ming / Liu, Yangyang / Wu, Bozhi / Zhang, Xueting et al. | 2019
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Electron transfer from the barrier in InAs/GaAs quantum dot-well structureFilikhin, I. / Peterson, Th. / Vlahovic, B. / Kruchinin, S.P. / Kuzmichev, Yu.B. / Mitic, V. et al. | 2019
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Electric field-induced anisotropic Rashba splitting in two dimensional tungsten dichalcogenides WX 2 (X: S, Se, Te): A first-principles studyAffandi, Yusuf / Ulil Absor, Moh Adhib et al. | 2019
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Photo-electrochemical impedance spectroscopy analysis of hydrothermally synthesized β-In2S3 thin film photo-anodesJrad, Fatma / Naceur, Jamila Ben / Ouertani, Rachid / Chtourou, Radhouane et al. | 2019
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Electron transport properties of boron nitride chains between two-dimensional metallic borophene electrodesZeng, Jing / Chen, Ke-Qiu / Deng, Yuan-Xiang et al. | 2019
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Fracture toughness of various percentage of doping of boron atoms on the mechanical properties of polycrystalline graphene: A molecular dynamics studyIzadifar, Mohammadreza / Thissen, Peter / Abadi, Rouzbeh / Jam, Amir Namazian / Gohari, Soheil / Burvill, Colin / Rabczuk, Timon et al. | 2019
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Insights on Si doping on PNRs for NDR with high PVR and diode behaviour with a high rectification ratioCarmel, Santhia / Pon, Adhithan / Ramesh, R. / Bhattacharyya, Arkaprava et al. | 2019
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Structural and electronic properties of monolayer group III-VII compounds: A first-principle studyLin, Heng-Fu / Wang, Shu-Shen / Liu, Hui-Ying / Hou, Ting-Ping / Wu, Kai-Ming et al. | 2019
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Intersubband optical properties of a laser-dressed asymmetric triple quantum well nanostructureUngan, F. / Mora-Ramos, M.E. / Barseghyan, M.G. / Pérez, L.M. / Laroze, D. et al. | 2019
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Spectroscopic, dielectric properties and phase transition of Bis (diethylammonium) hexachlorido stannate(IV)Karoui, Sahel / Chouaib, Hassen / Kamoun, Slaheddine et al. | 2019
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Research on one-dimensional photonic crystals with quantum theory approachWu, Xiang-Yao / Qing-Pan / Zhang, Xiao-Ru / Liu, Han / Yang, Fu-Quan / Liu, Ji-Ping / Ma, Ji / Yuan, Hong-Chun et al. | 2019
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Solvothermal synthesis of Cr-doped MS(M=Zn, Cd) nanostructures with room-temperature ferromagnetic propertyRen, Yinshuan / Zhang, Zhufeng / Hu, Hai / Liu, Wanguo et al. | 2019
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Fano-Rashba effect and enhancement of figure of merit and violation of Wiedemann-Franz lawLima, R.P.A. / Bautista, J.E.Q. / Orellana, P.A. et al. | 2019
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Importance of heteroatom doping site in tuning the electronic structure and magnetic properties of graphdiyneFeng, Zhen / Ma, Yaqiang / Li, Yi / Li, Renyi / Liu, Jing / Li, Huiting / Tang, Yanan / Dai, Xianqi et al. | 2019
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Hybridization effects on persistent currents in rings of topological insulatorsYar, Abdullah / Sabeeh, Kashif et al. | 2019
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Effect of vertical electric field on the band dispersion and dielectric response of bilayer germanium carbideBehzad, Somayeh et al. | 2019
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Anisotropy dependence of the optical response in an impurity doped quantum dot under intense laser fieldAydin, F. / Sari, H. / Kasapoglu, E. / Sakiroglu, S. / Sokmen, I. et al. | 2019
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Ab-initio calculations of strain induced relaxed shape armchair graphene nanoribbonPrabhakar, Sanjay / Melnik, Roderick et al. | 2019
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Prediction of novel SiX2(X = S, Se) monolayer semiconductors by density functional theoryNaseri, Mosayeb / Abutalib, Maymona / Alkhambashi, Majid / Gu, Jinxing / Jalilian, Jaafar / Farouk, Ahmed / Batle, Josep et al. | 2019
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Graphene transport in a parallel magnetic field: Spin polarization effects at finite temperatureCrisan, Mircea / Grosu, Ioan / Tifrea, Ionel et al. | 2019
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Editorial Board| 2019
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A DFT study of hydrogen adsorption on Ca decorated hexagonal B36 with van der Waals correctionsLiu, Pingping / Liu, Fangming / Peng, Yuan / Wang, Qiming / Juan, Ren et al. | 2019
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Publisher Note| 2019