نتائج البحث

Adsorption of NO2, HCN, HCHO and CO on pristine and amine functionalized boron nitride nanotubes by self-consistent charge density functional tight-binding method

• Authors : Kriengkri Timsorn; Chatchawal Wongchoosuk

Subjects: SCC-DFTB; boron nitride nanotube; amine functionalization

• Source: Materials Research Express, Vol 7, Iss 5, p 055005 (2020)

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Adsorption of NO 2 , HCN, HCHO and CO on pristine and amine functionalized boron nitride nanotubes by self-consistent charge density functional tight-binding method

• Authors : Timsorn, Kriengkri; Wongchoosuk, Chatchawal;

• Source: Materials Research Express ; volume 7, issue 5, page 055005 ; ISSN 2053-1591

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Excited State Relaxation Dynamics of Silicon Nanosheets using Time-dependent Density Functional Tight Binding Theory

• Authors : Wang, M Y; Wu, Q

• Source: IOP Conference Series: Materials Science and Engineering ; volume 758, issue 1, page 012094 ; ISSN 1757-8981 1757-899X

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Non-equilibrium Green's functions in density functional tight binding: method and applications

• Authors : Pecchia, A; Penazzi, G; Salvucci, L

• Source: New Journal of Physics ; volume 10, issue 6, page 065022 ; ISSN 1367-2630

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Artificial neural network potentials for mechanics and fracture dynamics of two-dimensional crystals

• Authors : Gang Seob Jung; Hunjoo Myung; Stephan Irle

Subjects: neural network potential; graphene; 2D materials

• Source: Machine Learning: Science and Technology, Vol 4, Iss 3, p 035001 (2023)

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Effect of vacancy defect and strain on the structural, electronic and magnetic properties of carbon nitride 2D monolayers by DFTB method

• Authors : Sakhraoui, Taoufik;

• Source: Journal of Physics: Condensed Matter ; volume 35, issue 32, page 324003 ; ISSN 0953-8984 1361-648X

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Artificial neural network potentials for mechanics and fracture dynamics of two-dimensional crystals **

• Authors : Jung, Gang Seob; Myung, Hunjoo; Irle, Stephan ...

• Source: Machine Learning: Science and Technology ; volume 4, issue 3, page 035001 ; ISSN 2632-2153

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Computational study of oxide stoichiometry and variability in the Al/AlOx/Al tunnel junction

• Authors : Lapham, Paul; Georgiev, Vihar P; Engineering and Physical Sciences Research Council

• Source: Nanotechnology ; volume 33, issue 26, page 265201 ; ISSN 0957-4484 1361-6528

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Bernoulli-Euler beam theory of single-walled carbon nanotubes based on nonlinear stress-strain relationship

• Authors : Kun Huang; Xiping Cai; Mingguang Wang

Subjects: single-walled carbon nanotubes; nonlinear stress-strain relationship; Bernoulli-Euler beam theory

• Source: Materials Research Express, Vol 7, Iss 12, p 125003 (2020)

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Bernoulli-Euler beam theory of single-walled carbon nanotubes based on nonlinear stress-strain relationship

• Authors : Huang, Kun; Cai, Xiping; Wang, Mingguang ...

• Source: Materials Research Express ; volume 7, issue 12, page 125003 ; ISSN 2053-1591

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