第3卷固态设备上册-化学传感器:仿真与建模-影印版_PDF下载[72MB-百度云]科瑞特森科韦

本书特色

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this is the third of a new five-volume comprehensive reference work that provides computer simulation and modeling techniques in various fields of chemical sensing and the important applications for chemical sensing such as bulk and surface diffusion, adsorption, surface reactions, sintering, conductivity, mass transport, and interphase interactions.

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作者简介

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Ghenadii Korotcenkov, received his Ph.D. in Physics and Technology of Semiconductor Materials and Devices in 1976, and his Habilitate Degree (Dr.Sci.) in Physics and Mathematics of Semiconductors and Dielectrics in 1990. For a long time he was a leader of the scientific Gas Sensor Group and manager of various national and international scientific and engineering projects carried out in the Laboratory of Micro- and Optoelectronics, Technical University of Moldova. Currently, Dr. Korotcenkov is a research professor at the Gwangju Institute of Science and Technology, Republic of Korea.
　　Specialists from the former Soviet Union know Dr. Korotcenkov’s research results in the field of study of Schottky barriers, MOS structures, native oxides, and photoreceivers based on Group IIIH-V compounds very well. His current research interests include materials science and surface science, focused on nanostructured metal oxides and solid-state gas sensor design. Dr. Korotcenkov is the author or editor of 11 books and special issues, 11 invited review papers, 17 book chapters, and more than 190 peer-reviewed articles. He holds 18 patents, and he has presented more than 200 reports at national and international conferences.
　　Dr. Korotcenkov’s research activities have been honored by an Award of the Supreme Council of Science and Advanced Technology of the Republic of Moldova (2004), The Prize of the Presidents of the Ukrainian, Belarus, and Moldovan Academies of Sciences (2003), Senior Research Excellence Awards from the Technical University of Moldova (2001, 2003, 2005), a fellowship from the International Research Exchange Board (1998), and the National Youth Prize of the Republic of Moldova (1980), among others.

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prefaceabout the editorcontributors1 molecular modeling: application to hydrogen interaction with carbon-supported transition metal systems1 introduction2 molecular modeling methods2.1 molecular mechanics2.2 electronic structure theory2.3 density functional theory2.4 plane-wave pseudo-potential methods2.5 optimization techniques3 modeling hydrogen interaction with doped transition metal carbon materials using car-parrinello molecular dynamics and metadynamics3.1 dissociative chemisorption3.2 spillover and migration of hydrogen4 summaryreferences2 surface modification of diamond for chemical sensor applications: simulation and modelingintroduction2 factors influencing surface reactivity3 diamond as a sensor material3.1 background3.2 electrochemical properties of diamond surfaces4 theory and methodology4.1 density functional theory4.2 force-field methods5 diamond surface chemistry5.1 electron transfer from an h-terminated diamond (100) surface to an atmospheric water adlayer; a quantum mechanical study5.2 effect of partial termination with oxygen-contairung species on the electron-transfer processes5.3 the energetic possibility to completely oxygen-terminate a diamond surface5.4 effect on electron-transfer processes of complete termination with oxygen-containing species5.5 biosensing5.6 simulation of the pluronic f108 adsorption layer onf-, h-, o-, and oh-terminated ncd surfacesreferences3 general approach to design and modeling of nanostructure- modified semiconductor and nanowire interfaces for sensor and microreactor applications1 introduction: the ihsab model for porous silicon sensors and microreactors2 the interface on extrinsic semiconductors3 the ihsab concept as the basis for nanostructure-directed physisorption (electron transduction) at sensor interfaces4 the extrinsic semiconductor framework5 physisorption (electron transduction) and the response of a nanostructure-modified sensor platform6 the underlying ihsab principle7 application to nanowire configurations8 application to additional semiconductors4 detection mechanisms and physico-chemical models of solid-state humidity sensors5 the sensing mechanism and response simulation of the mis hydrogen sensorindex