Iron corrosion in the “inert” supercritical CO2, ab initio dynamics insights: How impurities matter
Matter
5
1--12
(2022)
Stable Low-Dimensional Boron Chalcogenides from Planar Structural Motifs
Journal of Physical Chemistry A
125
6059--6063
(2021)
Dimensionality-Reduced Fermi Level Pinning in Coplanar 2D Heterojunctions
The Journal of Physical Chemistry Letters
12
4299--4305
(2021)
Heterobilayers of 2D materials as a platform for excitonic superfluidity
Nature Communications
11
2989
1--7
(2020)
Momentum-forbidden dark excitons in hBN-encapsulated monolayer MoS2
npj 2D Materials and Applications
3
26
1--6
(2019)
Thermally Induced 2D Alloy-Heterostructure Transformation in Quaternary Alloys
Advanced Materials
30
1870344
1--6
(2018)
Dirac Cones and Nodal Line in Borophene
The Journal of Physical Chemistry Letters
9
2757--2762
(2018)
Direct and Indirect Interlayer Excitons in a van der Waals Heterostructure of hBN/WS2/MoS2/hBN
ACS Nano
12
2498--2505
(2018)
Phase Segregation Behavior of 2D Transition Metal Dichalcogenide Binary Alloys Induced by Dissimilar Substitution
Chemistry of Materials
29
7431--7439
(2017)
Quaternary 2D Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap
Advanced Materials
29
1702457
1--8
(2017)
Predicting Stable Phase Monolayer Mo2C (MXene), a Superconductor with Chemically-Tunable Critical Temperature
Journal of Materials Chemistry C
5
3438--3444
(2017)
doi: 10.1039/C7TC00789B
NanoChimneys: Topology and Thermal Conductance of 3D Nanotube-Graphene Cone Junctions
The Journal of Physical Chemistry C
121
1257--1262
(2017)
Carrier Delocalization in Two-Dimensional Coplanar p-n Junctions of Graphene and Metal Dichalcogenides
Nano Letters
16
5032--5036
(2016)
Tailoring the Electronic and Magnetic Properties of Two-Dimensional Silicon Carbide Sheets and Ribbons by Fluorination
The Journal of Physical Chemistry C
120
15407--15414
(2016)
Buckling Patterns of Graphene-Boron Nitride Alloy on Ru(0001)
Advanced Materials Interfaces
2
1500322
1--8
(2015)
Two-Dimensional Boron-Nitrogen-Carbon Monolayers with Tunable Direct Band Gaps
Nanoscale
7
12023--12029
(2015)
doi: 10.1039/C5NR03344F
How Much N-Doping can Graphene Sustain?
The Journal of Physical Chemistry Letters
6
106--112
(2015)
doi: 10.1021/jz502093c
Edge reconstruction-mediated graphene fracture
Nanoscale
7
2716--2722
(2015)
doi: 10.1039/C4NR06332E
Many-body and spin-orbit effects on direct-indirect band gap transition of strained monolayer MoS2 and WS2
Annalen der Physik
526
L7--L12
(2014)
First-Principles Studies of Li Nucleation on Graphene
The Journal of Physical Chemistry Letters
5
1225--1229
(2014)
doi: 10.1021/jz500199d
Engineering electronic properties of layered transition-metal dichalcogenide compounds through alloying
Nanoscale
6
5820--5825
(2014)
doi: 10.1039/C4NR00177J
Nonpolar GaN films on high-index silicon: lattice matching by design
Physical Review B
87
045314
1--9
(2013)
PbSe nanocrystals remain intrinsic after surface adsorption of hydrazine
Physical Review B
83
235419
1--4
(2011)
First-Principles Study of Chemisorption of Oxygen and Aziridine on Graphitic Nanostructures
Journal of Physical Chemistry C
113
14721--14726
(2009)
doi: 10.1021/jp904555n
Gas-Surface Chemical Reactions at High Collision Energies?
Journal of the American Chemical Society
131
1927--1930
(2009)
doi: 10.1021/ja807672n
Analytical carbon-oxygen reactive potential
Journal of Chemical Physics
128
234706
1--8
(2008)
doi: 10.1063/1.2940329
Contact angles, ordering, and solidification of liquid mercury in carbon nanotube cavities
Physical Review B
76
195444
1--5
(2007)
Transient deformation regime in bending of single-walled carbon nanotubes
Physical Review Letters
97
245501
1--4
(2006)
Amplitude response of single-wall carbon nanotube probes during tapping mode atomic force microscopy: Modeling and experiment
Nano Letters
6
1669--1673
(2006)
doi: 10.1021/nl060831o
Neutralization of hyperthermal Ne+ on metal surfaces
Nuclear Instruments & Methods In Physics Research Section B-beam Interactions With Materials and Atoms
248
16--20
(2006)
Atomistic simulations of electrowetting in carbon nanotubes
Nano Letters
6
656--661
(2006)
doi: 10.1021/nl052393b
Kinetics of H atom adsorption on Si(100) at 500-650 K
Journal of Chemical Physics
119
11906--11911
(2003)
doi: 10.1063/1.1624827
Scattering and recoiling mapping of the Kr-Pt(111) system by SARIS
Surface Science
540
285--294
(2003)
Universal expression for blocking cone size based on the ZBL potential
Surface Science
495
77--90
(2001)
Universal expression for blocking cone size in low energy ion scattering based on MD simulations
Computer Simulation Studies In Condensed-matter Physics XIV
89
77--81
(2002)
How do hydrogen atoms on surfaces affect the trajectories of heavier scattered atoms?
Journal of Chemical Physics
111
11095--11100
(1999)
doi: 10.1063/1.480468
Spatial structure of holographic gratings in photorefractive crystals with a nonlocal response
Quantum Electronics
27
727--731
(1997)
The dynamics of recording of a transmission grating during FWM in a photorefractive medium with nonlocal response
Ukrainian Journal of Physics
42
678--683
(1997)