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Salah Eddine Boulfelfel صلاح الدين بوالفلفل
Salah Eddine Boulfelfel صلاح الدين بوالفلفل
Sonstige Namenصلاح الدين بوالفلفل
Bestätigte E-Mail-Adresse bei chbe.gatech.edu
Titel
Zitiert von
Zitiert von
Jahr
Unexpected stable stoichiometries of sodium chlorides
W Zhang, AR Oganov, AF Goncharov, Q Zhu, SE Boulfelfel, AO Lyakhov, ...
Science 342 (6165), 1502-1505, 2013
5122013
Understanding the nature of “superhard graphite”
SE Boulfelfel, AR Oganov, S Leoni
Scientific Reports 2 (1), 471, 2012
1132012
Squeezing lone pairs: The A 17 to A 7 pressure-induced phase transition in black phosphorus
SE Boulfelfel, G Seifert, Y Grin, S Leoni
Physical Review B 85 (1), 014110, 2012
1092012
Atomistic investigation of Li+ diffusion pathways in the olivine LiFePO 4 cathode material
SE Boulfelfel, G Seifert, S Leoni
Journal of Materials Chemistry 21 (41), 16365-16372, 2011
522011
Walking the Path from B 4-to B 1-Type Structures in GaN
SE Boulfelfel, D Zahn, Y Grin, S Leoni
Physical review letters 99 (12), 125505, 2007
492007
Structural Preference versus Metal within the MB2C2 (M=Mg, Sc, Ca, Y, Ln) Phases: The Coloring Problem Revisited by DFT Calculations
X Rocquefelte, SE Boulfelfel, M Ben Yahia, J Bauer, JY Saillard, JF Halet
Angewandte Chemie 117 (46), 7714-7717, 2005
472005
Competing intermediates in the pressure-induced wurtzite to rocksalt phase transition in ZnO
SE Boulfelfel, S Leoni
Physical Review B 78 (12), 125204, 2008
452008
Determining diffusion coefficients of chemical warfare agents in metal–organic frameworks
M Agrawal, SE Boulfelfel, DF Sava Gallis, JA Greathouse, DS Sholl
The journal of physical chemistry letters 10 (24), 7823-7830, 2019
432019
Screening diffusion of small molecules in flexible zeolitic imidazolate frameworks using a DFT-parameterized force field
RJ Verploegh, A Kulkarni, SE Boulfelfel, JC Haydak, D Tang, DS Sholl
The Journal of Physical Chemistry C 123 (14), 9153-9167, 2019
392019
Low-dimensional sublattice melting by pressure: Superionic conduction in the phase interfaces of the fluorite-to-cotunnite transition of Ca F 2
SE Boulfelfel, D Zahn, O Hochrein, Y Grin, S Leoni
Physical Review B 74 (9), 094106, 2006
382006
Significant temperature dependence of the isosteric heats of adsorption of gases in zeolites demonstrated by experiments and molecular simulations
AS Hyla, H Fang, SE Boulfelfel, G Muraro, C Paur, K Strohmaier, ...
The Journal of Physical Chemistry C 123 (33), 20405-20412, 2019
362019
First-Principles-Derived Force Fields for CH4 Adsorption and Diffusion in Siliceous Zeolites
H Fang, R Awati, SE Boulfelfel, PI Ravikovitch, DS Sholl
The Journal of Physical Chemistry C 122 (24), 12880-12891, 2018
292018
Modeling diffusion of linear hydrocarbons in silica zeolite LTA using transition path sampling
SE Boulfelfel, PI Ravikovitch, DS Sholl
The Journal of Physical Chemistry C 119 (27), 15643-15653, 2015
282015
Polarized Cluster Dynamics at the Paraelectric to Ferroelectric Phase Transition in BaTiO3
M Pasciak, SE Boulfelfel, S Leoni
The Journal of Physical Chemistry B 114 (49), 16465-16470, 2010
262010
Improved Hill–Sauer force field for accurate description of pores in 8-ring zeolites
SE Boulfelfel, PI Ravikovitch, L Koziol, DS Sholl
The Journal of Physical Chemistry C 120 (26), 14140-14148, 2016
242016
Incorporating Flexibility Effects into Metal–Organic Framework Adsorption Simulations Using Different Models
Z Yu, DM Anstine, SE Boulfelfel, C Gu, CM Colina, DS Sholl
ACS Applied Materials & Interfaces 13 (51), 61305-61315, 2021
212021
Mechanism of the fcc-to-hcp phase transformation in solid Ar
B Li, G Qian, AR Oganov, SE Boulfelfel, R Faller
The Journal of Chemical Physics 146 (21), 2017
212017
Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers
D Selli, SE Boulfelfel, P Schapotschnikow, D Donadio, S Leoni
Nanoscale 8 (6), 3729-3738, 2016
192016
Molecular dynamics investigation of surface resistances in zeolite nanosheets
O Knio, H Fang, SE Boulfelfel, S Nair, DS Sholl
The Journal of Physical Chemistry C 124 (28), 15241-15252, 2020
182020
Quantitative Predictions of Molecular Diffusion in Binary Mixed-Linker Zeolitic Imidazolate Frameworks Using Molecular Simulations
RJ Verploegh, Y Wu, SE Boulfelfel, DS Sholl
The Journal of Physical Chemistry C 122 (10), 5627-5638, 2018
172018
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