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LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001

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Nội dung chi tiết: LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001

LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001

VIETNAM NATIONAL UNIVERSITY, HANOIVIETNAM JAPAN UNIVERSITYTA rm I.IONGQUANTUM SIMULATION OF THEADSORPTION OF TOXIC GASES ONTHE SURFACE OF BOROPHENEMAS

LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001STER’S THESISHanoi, 2019VIETNAM NATIONAL UNIVERSITY. HANOIVIETNAM JAPAN UNIVERSITYTA THI LUONGQUANTUM SIMULATION OF THE ADSORPTION OF TOXIC GASES ON T

HE SURFACE OF BOROPHENEMAJOR: NANOTECHNOLOGYCODE: PILOTRESEARCH SUPERVISOR:Dr. DINH VAN ANHanoi, 2019ACKNOWLEDGMENTFirst of all. I sincerely appreciat LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001

e the great help of my supervisor. Dr. Dinh Ian An. Thank you for all your thorough and supportive instructions. your courtesy, and your encouragement

LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001

. This thesis absolutely could not be conducted well without your dedicated concerns.Second of all. I would like to show my gratefulness to Prof. Hori

VIETNAM NATIONAL UNIVERSITY, HANOIVIETNAM JAPAN UNIVERSITYTA rm I.IONGQUANTUM SIMULATION OF THEADSORPTION OF TOXIC GASES ONTHE SURFACE OF BOROPHENEMAS

LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001rch topic as well as research-related works.Third of all. I want to express my warm thanks to my classmate. Pham Trong Lam. Thanks to you. I got acqua

intance more easily with computational material science. Thank you for your willingness to help: it means a lot to me.Last but not least. I also would LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001

like to thank Vietnam Japan University and the staff working here for their necessary supports.This research is funded by National Foundation for Sci

LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001

ence and Technology Development (NATOS 1FD) under grant number 103.01-2018.315.CONTENTSPage Acknowledgment............................................

VIETNAM NATIONAL UNIVERSITY, HANOIVIETNAM JAPAN UNIVERSITYTA rm I.IONGQUANTUM SIMULATION OF THEADSORPTION OF TOXIC GASES ONTHE SURFACE OF BOROPHENEMAS

LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001ivLIST OF FIGURES......................................................VLIST OF abbreviations..............................................viiABSTRACT

..........................................................viiiChapter 1INTRODUCTION...............................................I1.1Background of th LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001

e research.....................................11.2Objectives and subjects of the research........................21.2.1Adsorbent material: Borophene.

LUẬN văn THẠC sĩ quantum simulation of the adsorption of toxic gases on the surface of borophene001

..............................21.2.2Gas molecules...............................................5

VIETNAM NATIONAL UNIVERSITY, HANOIVIETNAM JAPAN UNIVERSITYTA rm I.IONGQUANTUM SIMULATION OF THEADSORPTION OF TOXIC GASES ONTHE SURFACE OF BOROPHENEMAS

VIETNAM NATIONAL UNIVERSITY, HANOIVIETNAM JAPAN UNIVERSITYTA rm I.IONGQUANTUM SIMULATION OF THEADSORPTION OF TOXIC GASES ONTHE SURFACE OF BOROPHENEMAS

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