国家/地区 Austria（10）
关键词 DENSITY FUNCTIONAL THEORY（10）
出版物
出版时间 2015（2） 2017（2）
机构 UNIV VIENNA（5）
作者 KOTAKOSKI J（3） SUSI T（3）

Energy landscapes of graphene under general deformations: DFT-to-hyperelasticity upscaling

INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE

HOLLER R, SMEJKAL V, LIBISCH F, HELLMICH C

Coherent diffraction of hydrogen through the 246 pm lattice of graphene

NEW JOURNAL OF PHYSICS

BRAND C, DEBIOSSAC M, SUSI T, AGUILLON F, KOTAKOSKI J, RONCIN P, ARNDT M

Imaging and Tuning Molecular Levels at the Surface of a Gated Graphene Device

ACS NANO

RISS A, WICKENBURG S, TAN LZ, TSAI HZ, KIM Y, LU J, BRADLEY AJ, UGEDA MM, MEAKER KL, WATANABE K, TANIGUCHI T, ZETTL A, FISCHER FR, LOUIE SG, CROMMIE MF

Electronic structure and electron-phonon coupling of doped graphene layers in KC8

PHYSICAL REVIEW B

GRUNEIS A, ATTACCALITE C, RUBIO A, VYALIKH DV, MOLODTSOV SL, FINK J, FOLLATH R, EBERHARDT W, BUCHNER B, PICHLER T

Structure and Energetics of Embedded Si Patterns in Graphene

PHYSICA STATUS SOLIDI BBASIC SOLID STATE PHYSICS

ALAMDARY DN, KOTAKOSKI J, SUSI T

Single-atom spectroscopy of phosphorus dopants implanted into graphene

2D MATERIALS

SUSI T, HARDCASTLE TP, HOFSASS H, MITTELBERGER A, PENNYCOOK TJ, MANGLER C, DRUMMONDBRYDSON R, SCOTT AJ, MEYER JC, KOTAKOSKI J

How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?

JOURNAL OF MOLECULAR MODELING

RUNGNIM C, CHANAJAREE R, RUNGROTMONGKOL T, HANNONGBUA S, KUNGWAN N, WOLSCHANN P, KARPFEN A, PARASUK V

Simulation of angle-resolved photoemission spectra by approximating the final state by a plane wave: From graphene to polycyclic aromatic hydrocarbon molecules

JOURNAL OF ELECTRON SPECTROSCOPY RELATED PHENOMENA

PUSCHNIG P, LUFTNER D

On the interplay between geometrical structure and magnetic anisotropy: a relativistic density-functional study of mixed Pt-Co and Pt-Fe trimers and tetramers in the gas-phase and supported on graphene

JOURNAL OF PHYSICSCONDENSED MATTER

BLONSKI P, HAFNER J

Water adsorption and dynamics on graphene and other 2D materials: computational and experimental advances

ADVANCES IN PHYSICSX

SACCHI M, TAMTOGL A