Density functional theory study of graphene

Density functional theory study of graphene

In this thesis we mainly focus on : (a) band gap manipulation of monolayer graphene by phenyl radical adsorption; (b) controlling armchair and zigzag edges in oxidative cutting of graphene with strain; (c) understanding of their photoluminescence (PL) mechanisms of graphene quantum dots (GQDs) using...

Saved in:

書目詳細資料
主要作者:	Huang, Lin
其他作者:	Chen Peng
格式:	Theses and Dissertations
語言:	English
出版:	2016
主題:	DRNTU::Engineering::Chemical engineering
在線閱讀:	https://hdl.handle.net/10356/65964
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	Nanyang Technological University
語言:	English

相似書籍

Density functional studies relevant to methanol steam reforming
由: Li, Xiang
出版: (2013)

Density functional theory investigation of site predilection of Fe substitution in barium titanate
由: Piyarat Nimmanpipug, et al.
出版: (2018)

A density functional theory study on the kinetics of seven-member ring formation in polyaromatic hydrocarbons
由: Menon, Angiras, et al.
出版: (2021)

Band-gap manipulations of monolayer graphene by phenyl radical adsorptions : a density functional theory study
由: Huang, Lin, et al.
出版: (2014)

Small transition metal cluster adsorbed on graphene and graphene nanoribbons: A density functional based tight binding molecular dynamics study
由: Mananghaya, Michael Rivera, et al.
出版: (2018)

The complete reaction mechanism of H<inf>2</inf>S desulfurization on an anatase TiO<inf>2</inf>(001) surface: A density functional theory investigation
由: Anchalee Junkaew, et al.
出版: (2018)

Surface functionalization and density control of free-standing oriented double walled nanotube for improved performance of fuel cell
由: Wang, Xin
出版: (2011)

Physicochemical properties of graphene oxide: density functional theory study
由: Wipharat Hotarat
出版: (2013)

Density functional theory (DFT) study of sulfur poisoning of metal/zirconia systems
由: Oleksandr I. Malyi.
出版: (2013)

Preparation of novel 3D graphene networks for supercapacitor applications
由: Cao, Xiehong, et al.
出版: (2014)

Label-free carbon dots from black sesame seeds for real-time detection of ammonia vapor via optical electronic nose and density functional theory calculation
由: Preeyanuch Supchocksoonthorn, et al.
出版: (2020)

DNA-functionalized graphene to guide growth of highly active Pd nanocrystals as efficient electrocatalyst for direct formic acid fuel cells
由: Guo, Chun Xian, et al.
出版: (2014)

Graphene-Based Aqueous Magnesium Ion Hybrid Supercapacitors with an Appealing Energy Density Advanced by a KI Additive
由: Navajsharif S. Shaikh, et al.
出版: (2022)

Density functional theory investigation of emerging two-dimensional heterostructured materials
由: Kistanov, Andrey
出版: (2019)

Antibacterial activity of graphene oxide.
由: Hu, Ming.
出版: (2012)

Real-time detection of alcohol vapors and volatile organic compounds via optical electronic nose using carbon dots prepared from rice husk and density functional theory calculation
由: Nichaphat Thongsai, et al.
出版: (2020)

Density functional theory analysis of dopants in cupric oxide
由: Zhang, Zhen, et al.
出版: (2013)

Supercapacitor electrode based on three-dimensional graphene–polyaniline hybrid
由: Dong, Xiaochen, et al.
出版: (2013)

Nano‐RuO2‐decorated holey graphene composite fibers for micro‐supercapacitors with ultrahigh energy density
由: Zhai, Shengli, et al.
出版: (2020)

Graphene quantum dots for biological applications
由: Ananthanarayanan, Arundithi
出版: (2016)

Nanoelectronic biosensors based on CVD grown graphene
由: Huang, Yinxi, et al.
出版: (2012)

Density functional theory plus U study of vacancy formations in bismuth ferrite
由: Zhang, Zhen, et al.
出版: (2011)

Synthesis of graphene–carbon nanotube hybrid foam and its use as a novel three-dimensional electrode for electrochemical sensing
由: Dong, Xiaochen, et al.
出版: (2013)

Chemical tuning of electronic structure of germanium nanowires using density functional theory
由: Kuah, Kwok Jian.
出版: (2010)

Comparative study of graphene and carbon nanotube based field effect transistor for biosensing.
由: Hoo, Tun Kai.
出版: (2010)

Density Functional Study of Nickel N-Heterocyclic Carbene Catalyzed C-O Bond Hydrogenolysis of Methyl Phenyl Ether: The Concerted β-H Transfer Mechanism
由: Taveechai Wititsuwannakul, et al.
出版: (2018)

Density functional theory study of BN-doped graphene superlattice: Role of geometrical shape and size
由: Xu, B., et al.
出版: (2014)

Study of adipokine secretion and their functions
由: Than, Aung
出版: (2012)

Study of adipokine secretion and their functions.
由: Than, Aung.
出版: (2013)

Layer-by-layer printing of laminated graphene-based interdigitated microelectrodes for flexible planar micro-supercapacitors
由: Sun, Gengzhi, et al.
出版: (2015)

Graphene oxide quantum dots covalently functionalized PVDF membrane with significantly-enhanced bactericidal and antibiofouling performances
由: Zeng, Zhiping, et al.
出版: (2018)

Synthesis, electrochemistry and application of 2D and 3D graphene-composite materials
由: Gao, Hongcai
出版: (2013)

Catalytic reduction mechanism of deoxygenation of NO via the CO-reaction pathway using nanoalloy Ag<inf>7</inf>Au<inf>6</inf>clusters: Density functional theory investigation
由: Yutthana Wongnongwa, et al.
出版: (2018)

Theory and numerical simulation of droplet dynamics in microchannel
由: Cai, Xibin
出版: (2009)

Density-functional theory study of small Fe, Co, Ni and Pt clusters on graphene
由: HARMAN DEV SINGH JOHLL
出版: (2010)

Density functional theory study of Fe, Co, and Ni adatoms and dimers adsorbed on graphene
由: Johll, H., et al.
出版: (2014)

Effects of particle size, shape and density on pick-up velocity
由: Tan, Pei Ting.
出版: (2009)

One-pot synthesis of platinum nanocubes on reduced graphene oxide with enhanced electrocatalytic activity
由: Xia, Bao Yu, et al.
出版: (2014)

Lateral dimension-dependent antibacterial activity of graphene oxide sheets
由: Liu, Shaobin, et al.
出版: (2013)

Estimation of density of biodiesel
由: Suriya Phankosol, et al.
出版: (2018)