First principles study on small ZrAln and HfAln clusters: Structural, stability, electronic states and CO2 adsorption (English)
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https://orcid.org/0000-0002-9358-3940
- New search for: Kagdada, Hardik L.
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In:
Materials Chemistry and Physics
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239
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2019
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ISSN:
- Article (Journal) / Electronic Resource
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Title:First principles study on small ZrAln and HfAln clusters: Structural, stability, electronic states and CO2 adsorption
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Contributors:Kagdada, Hardik L. ( author ) / Dabhi, Shweta D. ( author ) / Mankad, Venu ( author ) / Shinde, Satyam M. ( author ) / Jha, Prafulla K. ( author )
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Published in:
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Publisher:
- New search for: Elsevier B.V.
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Publication date:2019-10-07
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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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Keywords:
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Source:
Table of contents – Volume 239
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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Effects of attapulgite addition on the mechanical behavior and porosity of cement-based porous materials and its adsorption capacityLuan, Xuezhu / Li, Jinhong / Yang, Zhiwei et al. | 2019
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Investigation of PEG4000/Natural clay-based hybrids: Elaboration, characterization and theoryGhyati, Souad / Kassou, Said / Jai, Mostapha El / Kinani, El Hassan El / Benhamou, Mabrouk et al. | 2019
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Imine-linked polymer/silica composites for CO2 sequestrationSenthilkumaran, Marimuthu / Eswaran, Lakshmanan / Saravanan, Chokalingam / Puthiaraj, Pillaiyar / Rameshkumar, Perumal / Muthu Mareeswaran, Paulpandian et al. | 2019
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Controlled attachment of ultrafine iridium nanoparticles on mesoporous aluminosilicate granules with carbon nanotubes and acetyl acetoneAmirsardari, Zahra / Dourani, Akram / Amirifar, Mohamad Ali / Massoom, Nooredin Ghadiri / Jahannama, Mohammad Reza et al. | 2019
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Effect of polyvinyl alcohol on the physicochemical properties of biodegradable starch filmsGómez-Aldapa, Carlos Alberto / Velazquez, Gonzalo / Gutierrez, Miguel C. / Rangel-Vargas, Esmeralda / Castro-Rosas, Javier / Aguirre-Loredo, Rocio Yaneli et al. | 2019
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Efficiency and lead uptake mechanism of a phosphonate functionalized mesoporous silica through P/Pb association ratioGutiérrez-Ortega, José A. / Gómez-Salazar, Sergio / Shenderovich, Ilya G. / Manríquez-González, Ricardo et al. | 2019
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Effect of different fibers reinforcement on the properties of PZT/PVA compositesLiu, Tao / Li, Rui / Pei, Jianzhong / Xing, Xiangyang / Guo, Qiqi et al. | 2019
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Amino-bridged covalent organic Polycalix[4]arenes for ultra efficient adsorption of iodine in waterAn, Duo / Li, Liang / Zhang, Zhizhong / Asiri, Abdullah M. / Alamry, Khalid A. / Zhang, Xinghua et al. | 2019
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Effect of point defects and low-density carbon-doped on mechanical properties of BNNTs: A molecular dynamics studyAlbooyeh, A.R. / Dadrasi, A. / Mashhadzadeh, A. Hamed et al. | 2019
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Voids in walls of mesoporous TiO2 anatase nanotubes by controlled formation and annihilation of protonated titanium vacanciesGetz, Marit Norderhaug / Chatzitakis, Athanasios / Liu, Xin / Carvalho, Patricia Almeida / Bjørheim, Tor Svendsen / Norby, Truls et al. | 2019
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Exploration of the structural and dielectric characteristics of a potent hydroxyapatite coated gallium bioceramics for the forthcoming biomedical and orthopedic applicationsNayak, Bishnupriya / Misra, Pramila K. et al. | 2019
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First principles study on small ZrAln and HfAln clusters: Structural, stability, electronic states and CO2 adsorptionKagdada, Hardik L. / Dabhi, Shweta D. / Mankad, Venu / Shinde, Satyam M. / Jha, Prafulla K. et al. | 2019
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A DFT screening of magnetic sensing-based adsorption of NO by M-MOF-74 (M= Mg, Ti, Fe and Zn)Azar, Yavar T. / Lakmehsari, Muhammad Shadman / Kazem Manzoorolajdad, Seyed Mohammad / Sokhanvaran, Vahid / Ahadi, Zohreh / Shahsavani, Abbas / Hopke, Philip K. et al. | 2019
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Electronic properties and oxygen chemisorption at AlxGa1-xN surfacesMishra, Monu / Gupta, Govind et al. | 2019
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Facile design of reduced graphene oxide decorated with Cu2O nanocube composite as antibiofilm active materialSelim, Mohamed S. / Samak, Nadia A. / Hao, Zhifeng / Xing, Jianmin et al. | 2019
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Anomalous behavior of the Madelung constant and I–Fe–I bonding angle at high-pressure induced structural phase transition of FeI2Harutyunyan, V.S. et al. | 2019
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Chemical composition of explanted deteriorated nephrostomy polyurethane-catheters through X-ray photoelectron spectroscopyFernández-Grajera, María / Hierro-Oliva, Margarita / Alarcón, Luis Fernández-de / Gallardo-Moreno, Amparo M. et al. | 2019
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Poling and annealing of piezoelectric Poly(Vinylidene fluoride) micropillar arraysPariy, I.O. / Ivanova, A.A. / Shvartsman, V.V. / Lupascu, D.C. / Sukhorukov, G.B. / Surmeneva, M.A. / Surmenev, R.A. et al. | 2019
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A novel fluorescent sensors for sensitive detection of nitrite ionsYang, Min / Yan, Yujia / Shi, Huanxian / Liu, Enzhou / Hu, Xiaoyun / Zhang, Xu / Fan, Jun et al. | 2019
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Development of thickness-tunable gold nanorods for anti-oxidant detectionChakraborty, Debolina / Venkatesan, Megala / Ethiraj, K.R. / Chandrasekaran, N. / Mukherjee, Amitava et al. | 2019
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One pot solvothermal synthesis of Co3O4@UiO-66 and CuO@UiO-66 for improved current density towards hydrogen evolution reactionFiaz, Muhammad / Athar, Muhammad / Rani, Sonia / Najam-ul-Haq, Muhammad / Farid, Muhammad Asim et al. | 2019
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Improving the thickness uniformity of micro electroforming layer by megasonic agitation and the applicationZhao, Ming / Du, Liqun / Xu, Zheng / Zhang, Xi / Cao, Qiang / Ji, Xuechao / Wei, Zhuangzhuang / Liu, Junshan et al. | 2019
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Conversion of chemically impure enriched elemental boron (low grade) to nuclear grade boric acid by hydrogen peroxide oxidationSudhakar Rao, A. / Venkateswarlu, B. / Hanuman, V.V. / Singh, S.B. / Prasad, K. Laxmana / Anitha, P. et al. | 2019
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Synthesis of CdS nanoparticle by sol-gel method as low temperature NO2 sensorSonker, Rakesh K. / Yadav, B.C. / Gupta, Vinay / Tomar, Monika et al. | 2019
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Physicochemical properties of film fabricated from cotton gin trashHaque, Abu Naser Md Ahsanul / Remadevi, Rechana / Wang, Xungai / Naebe, Maryam et al. | 2019
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Effect of silanization on copper coated milife fabric with improved EMI shielding effectivenessPeriyasamy, Aravin Prince / Yang, Kai / Xiong, Xiaoman / Venkataraman, Mohanapriya / Militky, Jiri / Mishra, Rajesh / Kremenakova, Dana et al. | 2019
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Synthesis and characterization of alpha alumina-natural apatite based porous ceramic support for filtration applicationGuesmi, Youssef / Lafi, Ridha / Agougui, Hassen / Jabli, Mahjoub / Oun, Abdallah / Majumdar, Swachchha / Hafiane, Amor et al. | 2019
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Structural disorder and short-range order in full Heusler alloys Fe2VAl and Co2CrAl from first principles calculationsKostenko, М.G. / Lukoyanov, А.V. et al. | 2019
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Improved visible-light photocatalytic activity of Mn3O4-based nanocomposites in removal of methyl orangeOsgouei, M. Saket / Khatamian, M. / Kakili, H. et al. | 2019
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Formation mechanism and controllable preparation of Ti(C,N) in Al–TiO2–Al2O3 composite at 1673 K in flowing N2Sun, Yang / Li, Yong / Zhang, Lixin / Shen, Yinan / Yan, Mingwei / Ma, Chenhong / Sun, Jialin et al. | 2019
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Role of Sr on microstructure, mechanical properties, wear and corrosion behaviour of an Al–Mg2Si–Cu in-situ compositeFarahany, Saeed / Ghandvar, Hamidreza / Bozorg, Mansour / Nordin, Azmah / Ourdjini, Ali / Hamzah, Esah et al. | 2019
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Boron-doped graphene coated Au@SnO2 for high-performance triethylamine gas detectionPeng, Ruiqin / Li, Yuanyuan / Liu, Tong / Si, Pengchao / Feng, Jinkui / Suhr, Jonghwan / Ci, Lijie et al. | 2019
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Synthesis and characterization of reduced graphene oxide-Fe3O4@polydopamine and application for adsorption of lead ions: Isotherm and kinetic studiesMehdinia, Ali / Heydari, Sadegh / Jabbari, Ali et al. | 2019
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Design and statistical analysis of irregular porous scaffolds for orthopedic reconstruction based on voronoi tessellation and fabricated via selective laser melting (SLM)Du, Yue / Liang, Huixin / Xie, Deqiao / Mao, Ning / Zhao, Jianfeng / Tian, Zongjun / Wang, Changjiang / Shen, Lida et al. | 2019
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Highly porous nickel molybdate@graphene oxide nanocomposite for the ultrasensitive electrochemical detection of environmental toxic pollutant catecholBoopathy, Gopal / Keerthi, Murugan / Chen, Shen-Ming / Umapathy, M.J. / Kumar, Baskaran Naresh et al. | 2019
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Detection by XRD of hidden defects in epitaxial thin films grown by PLDYelpo, Carla / Favre, Sofía / Ariosa, Daniel et al. | 2019
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Enhancing hydrogen evolution reaction by strain engineering in free-standing doped FeS monolayerWang, LiFen / Shan, Yun / Liu, Lizhe et al. | 2019
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Preparation of (Cr1-x, Mox)2(C, N) infinite solid solution powdersMa, Shiqing / Liu, Ying / Ye, Jinwen / Cao, Zhinan / Tang, Jie et al. | 2019
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Novel application of multiferroic compound for green electricity generation fabricated as hydroelectric cellShah, Jyoti / Verma, K.C. / Agarwal, Ashish / Kotnala, R.K. et al. | 2019
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Sintering kinetics involving densification and grain growth of 3D printed Ce–ZrO2/Al2O3Wu, Haidong / Liu, Wei / Lin, Lifu / Li, Yanhui / Tian, Zhuo / Nie, Guanlin / An, Di / Li, Hezhen / Wang, Chengyong / Xie, Zhipeng et al. | 2019
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Cu phthalocyanine, Cu and Fe@Au nanoparticles grafted polyethylene: From structural to magnetic propertiesReznickova, Alena / Grulich, Lukas / Cizmar, Erik / Orendac, Martin / Zelenakova, Adriana / Kolska, Zdenka / Prusa, Filip / Svorcik, Vaclav et al. | 2019
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Human serum albumin capsulated hydrophobic carbon nanodots as staining agent on HeLa tumor cellFahmi, Mochamad Zakki / Wibowo, Denika Liyan Nor / Sakti, Satya Candra Wibawa / Lee, Hwei Voon / Isnaeni et al. | 2019
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Graphene-based recyclable and bifunctional heterogeneous chiral catalyst for direct asymmetric aldol reactionAzlouk, Manel / Durmaz, Mustafa / Zor, Erhan / Bingol, Haluk et al. | 2019
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Microstructural stability of Ta minor-alloying HR3C stainless steel at 973 KLu, Yang / Wang, Qing / Wen, Donghui / Dong, Chuang / Zhang, Ruiqian / Liaw, Peter K. et al. | 2019
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Prelim III: Contents| 2020
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Dielectric relaxation and Hopping conduction mechanism in Ni1-xSrxO nanostructuresSiddique, M. Naseem / Ahmed, Ateeq / Tripathi, P. et al. | 2019
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Highly conducting graphene dispersed silicon oxycarbide glassesMaheshwari, Ankur / Gopikrishnan, Ebenezer Prasanna / Gangadhar, Jella / Sujith, Ravindran et al. | 2019
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High efficiency dye-sensitized solar cells based on a series of small dye molecules with N-methylcarbazole derivatives as donorsFu, Yan / Li, Bingqian / Liu, Haizhen / Xue, Bingchun / Liu, Erbao et al. | 2019
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Magneto-electronic, mechanical, thermoelectric and thermodynamic properties of ductile perovskite Ba2SmNbO6Khandy, Saveer Ahmad / Gupta, Dinesh C. et al. | 2019
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Novel ZnO/Ag6Si2O7 nanocomposites for activation of persulfate ions in photocatalytic removal of organic contaminants under visible lightSabri, Mina / Habibi-Yangjeh, Aziz / Vadivel, S. et al. | 2019
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Improved corrosion performance of biodegradable magnesium in simulated inflammatory condition via drug-loaded plasma electrolytic oxidation coatingsBordbar-Khiabani, Aidin / Yarmand, Benyamin / Sharifi-Asl, Samin / Mozafari, Masoud et al. | 2019
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Seaweed (Turbinaria ornata)-assisted green synthesis of magnesium hydroxide [Mg(OH)2] nanomaterials and their anti-mycobacterial activityGovindaraju, K. / Anand, K. Vijai / Anbarasu, S. / Theerthagiri, J. / Revathy, S. / Krupakar, P. / Durai, G. / Kannan, M. / Subramanian, K.S. et al. | 2019
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Effects of morphology regulated by Pb2+ on graphene oxide cytotoxicity: Spectroscopic and in vitro investigationsQiang, Shirong / Wang, Mingyuan / Liang, Jianjun / Zhao, Xiaolan / Fan, Qiaohui / Geng, Rongyue / Luo, Dongxia / Li, Zhengbin / Zhang, Li et al. | 2019
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Tailoring of pyramid cobalt doped nickel oxide nanostructures by composite-hydroxide-mediated approachZeb, Aurang / Arfan, Muhammad / Shahid, Tauseef / Masood, Taha Bin / Wattoo, Abdul Ghafar / Song, Zhenlun / Shahzad, Moazzam / Ansari, Shehzad Munir et al. | 2019
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Cement pastes modified by cellulose nanocrystals: A dynamic moduli evolution assessment by the Impulse Excitation TechniqueFilipak Vanin, Daniel Vicente / Andrade, Viviane Dias / Fiorentin, Thiago Antonio / Recouvreux, Derce de Oliveira Souza / Carminatti, Claudimir Antonio / Al-Qureshi, Hazim Ali et al. | 2019
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Methyltrimethoxysilane-coated recycled polyethylene terephthalate aerogels for oil spill cleaning applicationsLe, Duyen Khac / Ng, Gek Nian / Koh, Hong Wei / Zhang, Xiwen / Thai, Quoc Ba / Phan-Thien, Nhan / Duong, Hai Minh et al. | 2019
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Barium polyphosphate glasses, from structure to thermochemistryMrabet, Hounaida / Cherbib, Mohamed Atef / Khattech, Ismail et al. | 2019
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Physical and mechanical properties of unheated and heated kaolin based-geopolymers with partial replacement of aluminium hydroxideTiffo, Emmanuel / Bike Mbah, Jean Batiste / Belibi Belibi, Placide Désiré / Yankwa Djobo, Jean Noel / Elimbi, Antoine et al. | 2019