J. Sofo

发表

Thermodynamics modeling of the Mg–Sr and Ca–Mg–Sr systems

Zi-kui Liu, A. Luo, Y. Zhong, 2006 .

The best thermoelectric.

G. Mahan, J. Sofo, 1996, Proceedings of the National Academy of Sciences of the United States of America.

Graphane: a two-dimensional hydrocarbon

G. Barber, J. Sofo, A. Chaudhari, 2006, cond-mat/0606704.

First-Principles Investigation of Laves Phases in Mg-Al-Ca System

Zi-kui Liu, A. Luo, Y. Zhong, 2005 .

Surface protonation at the rutile (110) interface: explicit incorporation of solvation structure within the refined MUSIC model framework.

L. Vlček, P. Cummings, Nitin Kumar, 2008, Langmuir : the ACS journal of surfaces and colloids.

Stress-induced defects in Sb 2 Te 3

Jorge O. Sofo, Timo Thonhauser, Gerald D. Mahan, 2003 .

Transport coefficients and thermoelectric figure of merit of n‐Hg1−xCdxTe

G. Mahan, J. Sofo, J. Baars, 1994 .

Analysis of periodic Schrödinger operators: Regularity and approximation of eigenfunctions

V. Nistor, J. Sofo, E. Hunsicker, 2008 .

Periodic Density Functional Theory Study of Water Adsorption on the α-Quartz (101) Surface

J. Kubicki, J. Sofo, A. Bandura, 2011 .

The Electrical Conductivity of Strontium-Barium Niobate

G. Mahan, J. Sofo, J. O. Sofo, 2013, Journal of Electronic Materials.

Electronic Structure and Transport Properties of CoSb 3 : A Narrow Band-Gap Semiconductor

G. Mahan, J. Sofo, 1998 .

Comment on "structure and dynamics of liquid water on rutile TiO 2(110)"

L. Vlček, E. Mamontov, P. Kent, 2012 .

Electrical control of the chemical bonding of fluorine on graphene

G. Usaj, C. Balseiro, P. S. Cornaglia, 2011, 1101.4600.

Van der Waals dispersion forces between dielectric nanoclusters.

M. W. Cole, D. Velegol, A. Lucas, 2007, Langmuir : the ACS journal of surfaces and colloids.

Structure of hydrated Zn2+ at the rutile TiO2 (110)-aqueous solution interface: Comparison of X-ray standing wave, X-ray absorption spectroscopy, and density functional theory results

M. Bedzyk, P. Fenter, J. Kubicki, 2006 .

Structure of hydrated Zn 2 + at the rutile TiO 2 ( 110 )-aqueous solution interface : Comparison of X-ray standing wave , X-ray absorption spectroscopy , and density functional theory results q

M. Bedzyk, P. Fenter, J. Kubicki, 2006 .

Electronic structure of CoSb 3 : A narrow-band-gap semiconductor

G. Mahan, J. Sofo, 1998 .

CALCULATION OF THE ELECTRONIC AND STRUCTURAL PROPERTIES OF CUBIC MG2NIH4

J. Sofo, J. Abriata, G. Garcia, 1999 .

Scanning tunneling microscopy chemical signature of point defects on the MoS2(0001) surface.

A. Saúl, J. Sofo, J. Fuhr, 2004, Physical review letters.

Adsorption of Pd on MoS 2 (1000): Ab initio electronic-structure calculations

A. Saúl, J. Sofo, J. Fuhr, 1999 .

Graphane: a two-dimensional hydrocarbon

G. Barber, J. Sofo, A. Chaudhari, 2006, cond-mat/0606704.

Broad photoelectron spectrum and lowered electron affinity due to hydrogen in ZnOH: a joint experimental and theoretical study.

A. Castleman, J. Sofo, C. Harmon, 2012, The Journal of chemical physics.

Static Polarizabilities of Dielectric Nanoclusters

M. W. Cole, D. Velegol, J. Sofo, 2005, cond-mat/0508360.

Photoluminescence from nanocrystalline graphite monofluoride

V. Crespi, J. Sparks, H. Gutiérrez, 2010, 1007.5222.

Novel substrates for Helium adsorption: Graphane and Graphene—Fluoride

M. W. Cole, L. Reatto, M. Nava, 2012, 1204.3061.

n-Type behavior of graphene supported on Si/SiO(2) substrates.

P. Eklund, S. Tadigadapa, H. Gutiérrez, 2008, ACS nano.

Electronic structure of the pyrochlore metals Cd 2 Os 2 O 7 and Cd 2 Re 2 O 7

K. Schwarz, P. Blaha, J. Sofo, 2001, cond-mat/0108226.

Anion photoelectron spectroscopy and density functional investigation of vanadium carbide clusters.

A. Castleman, K. Knappenberger, J. Sofo, 2006, The journal of physical chemistry. A.

Toward a First-Principles Determination of Transport Coefficients

J. Sofo, T. Scheidemantel, 2003 .

Landau level phases in bilayer graphene under pressure at charge neutrality

J. Sofo, B. Green, 2020, 2002.05595.

First-principles studies of lattice dynamics and thermal properties of Mg_2Si_1− xSn_x

Long-Qing Chen, Xinbing Zhao, T. Zhu, 2015 .

An Investigation of Machine Learning Methods Applied to Structure Prediction in Condensed Matter

Jorge O. Sofo, C. Lee Giles, James D. Kubicki, 2014, 1405.3564.

Adsorption of Zn2+ on the (110) Surface of TiO2 (Rutile): A Density Functional Molecular Dynamics Study

J. Kubicki, J. Sofo, A. Bandura, 2011 .

Thermoelectric figure of merit of superlattices

Jorge O. Sofo, Gerald D. Mahan, G. Mahan, 1994 .

Photoluminescence from nanocrystalline graphite monofluoride

Jorge O. Sofo, Qingzhen Hao, Vincent H. Crespi, 2010, 1007.5222.

Thermoelectric figure of merit of n‐Hg1−xCdxSe

J. Sofo, 1995 .

An integrated framework for multi-scale materials simulation and design

P. Raghavan, Z.-K. Liu, L.-Q. Chen, 2004 .

- A density-functional study of the structural, electronic, and vibrational properties of Ti 8 C 12 metallocarbohedrynes with relevance to ultrafast time-resolved spectroscopy

A. Castleman, J. Sofo, M. A. Sobhy, 2006 .

Electrically tunable multiple Dirac cones in thin films of the (LaO)2(SbSe2)2 family of materials

W. Duan, Chaoxing Liu, J. Sofo, 2014, Nature Communications.

Multiple isomers in the photoelectron spectra of small mono-niobium carbide clusters.

J. Sofo, I. Iordanov, 2011, The Journal of chemical physics.

Contribution of first-principles energetics to the Ca-Mg thermodynamic modeling

Zi-kui Liu, Koray Öztürk, Y. Zhong, 2006 .

Linear optical properties of solids within the full-potential linearized augmented planewave method

Jorge O. Sofo, Claudia Ambrosch-Draxl, C. Ambrosch-Draxl, 2004, Comput. Phys. Commun..

Memory Function Representation for the Electrical Conductivity of Solids

C. Draxl, J. Sofo, S. Rigamonti, 2021, 2110.02859.

Bending energy of 2D materials: graphene, MoS2 and imogolite

J. Valdivia, F. Munoz, J. Rogan, 2018, RSC advances.

Reversible fluorination of graphene: Evidence of a two-dimensional wide bandgap semiconductor

K. Zou, P. Eklund, S.-H. Cheng, 2010, 1005.0113.

Effect of Ions on H-Bond Structure and Dynamics at the Quartz(101)-Water Interface.

J. Kubicki, J. Sofo, M. DelloStritto, 2016, Langmuir : the ACS journal of surfaces and colloids.

Density functional theory simulation of hydrogen-bonding structure and vibrational densities of states at the quartz (1 0 1)-water interface and its relation to dissolution as a function of solution pH and ionic strength

J. Kubicki, J. Sofo, M. DelloStritto, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

A New Hypothesis for the Dissolution Mechanism of Silicates

J. Kubicki, A. Skelton, J. Sofo, 2012 .

New Phases in Mg‐Al‐Ca System

Zi-kui Liu, A. Luo, Y. Zhong, 2014 .

First-principles study of binary bcc alloys using special quasirandom structures

Jorge O. Sofo, Chao Jiang, Chris Wolverton, 2004 .

Structural, electronic, optical and vibrational properties of nanoscale carbons and nanowires: a colloquial review

M. W. Cole, M. Dresselhaus, G. Mahan, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Gate-voltage control of oxygen diffusion on graphene.

E. Bar-Ziv, J. Sofo, L. Radovic, 2011, Physical review letters.

Transport coefficients from first-principles calculations

Jorge O. Sofo, Claudia Ambrosch-Draxl, Timo Thonhauser, 2003 .

Low Energy Phases of Bi Monolayer Predicted by Structure Search in Two Dimensions.

Jorge O. Sofo, Matthieu J. Verstraete, Aldo H. Romero, 2019, The journal of physical chemistry letters.

Heavy Dirac fermions in a graphene/topological insulator hetero-junction

W. Duan, Chaoxing Liu, J. Sofo, 2016, 1602.08822.

van der Waals forces between nanoclusters: importance of many-body effects.

M. W. Cole, D. Velegol, A. Lucas, 2006, The Journal of chemical physics.

Fully retarded van der Waals interaction between dielectric nanoclusters.

M. W. Cole, D. Velegol, J. Sofo, 2006, The Journal of chemical physics.

Calculation of the ortho–para conversion of hydrogen in a p–type silicon lattice using a dwell time approach

J. Sofo, R. Herman, A. Suarez, 2012 .

Thermoelectric properties of Sb 2 Te 3 under pressure and uniaxial stress

G. Mahan, T. Thonhauser, J. Badding, 2003 .

Oxygen migration on the graphene surface. 2. Thermochemistry of basal-plane diffusion (hopping)

Fernando Vallejos-Burgos, J. Sofo, L. Radovic, 2011 .

Faster proton transfer dynamics of water on SnO2 compared to TiO2.

P. Kent, D. Cole, Nitin Kumar, 2011, The Journal of chemical physics.

Multilayer thermionic refrigerator and generator

G. Mahan, J. Sofo, M. Bartkowiak, 1998, cond-mat/9801187.

Bond Polarizability Model for Sum Frequency Generation at the Al2O3(0001)-H2O Interface.

J. Sofo, M. DelloStritto, Mark J. DelloStritto, 2017, The journal of physical chemistry. A.

Electronic structure calculations of physisorption and chemisorption on oxide glass surfaces

C. Pantano, J. Sofo, Elam A. Leed, 2005 .

Development of a ReaxFF reactive force field for titanium dioxide/water systems.

Nitin Kumar, Petter Persson, Sung-Yup Kim, 2012, Langmuir : the ACS journal of surfaces and colloids.

Anion photoelectron spectroscopy and density functional investigation of diniobium-carbon clusters.

S. Khanna, A. Castleman, K. Knappenberger, 2007, ACS nano.

A density-functional study of the structural, electronic, magnetic, and vibrational properties of Ti8C12 metallocarbohedrynes.

A. Castleman, J. Sofo, M. A. Sobhy, 2005, The Journal of chemical physics.

Metal-substituted Ti8C12 metallocarbohedrynes: toward less reactive clusters as building blocks of cluster-assembled materials.

A. Castleman, J. Sofo, C. Berkdemir, 2012, Physical chemistry chemical physics : PCCP.

Theory of genus reduction in alkali-induced graphitization of nanoporous carbon

Jorge O. Sofo, Aleksey N. Kolmogorov, Vincent H. Crespi, 2007 .

A TWO-DIMENSIONAL HYDROCARBON

G. Barber, J. Sofo, A. Chaudhari, 2007 .

Improved thermoelectric devices using bismuth alloys

Jorge O. Sofo, Timo Thonhauser, T. J. Scheidemantel, 2004 .

Diffusion and Transport Coefficients in Synthetic Opals

G. Mahan, J. Sofo, 1999, cond-mat/9910344.

Bilayer graphene under pressure: Electron-hole symmetry breaking, valley Hall effect, and Landau levels

G. Usaj, C. Balseiro, J. Sofo, 2016, 1602.01704.

Using Machine Learning to Accelerate Complex Atomic Structure Elucidation

Jorge O. Sofo, William J. Brouwer, Lazaro Calderin, 2012 .

Analysis and optimization of carbon nanotubes and graphene sensors based on adsorption-desorption kinetics

Jorge O. Sofo, Sang-Zi Liang, M. W. Cole, 2013 .

How do insertions affect green fluorescent protein

M. Demirel, J. Sofo, A. Zeytun, 2006 .

Partial Order-Disorder Transition Driving Closure of Band Gap: Example of Thermoelectric Clathrates.

C. Draxl, J. Sofo, S. Rigamonti, 2020, Physical review letters.

Vibrational Density of States of Strongly H Bonded Interfacial Water:Insights from Inelastic Neutron Scattering and Theory

P. Kent, A. Kolesnikov, Nitin Kumar, 2014 .

Inversion domain boundaries in wurtzite GaN

J. Sofo, M. Umar, 2021, Physical Review B.

Coverage dependence study of the adsorption of Pd on MoS2(0001)

A. Saúl, J. Sofo, J. Fuhr, 2002 .

Photoemission study of the skutterudite compounds CoSb3 and RhSb3

A. Fujimori, J. Sofo, H. Ishii, 2001, cond-mat/0103342.

Magnetic structure of hydrogen-induced defects on graphene

G. Usaj, C. Balseiro, P. S. Cornaglia, 2011, 1112.2529.

Optimum band gap of a thermoelectric material.

Mahan, G. Mahan, J. Sofo, 1994, Physical review. B, Condensed matter.

Structural, electronic, optical and vibrational properties of nanoscale carbons and nanowires: a colloquial review

M. W. Cole, M. Dresselhaus, G. Mahan, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

A Viewpoint on: Growth of Dome-Shaped Carbon Nanoislands on Ir(111): The Intermediate between Carbidic Clusters and Quasi-Free-Standing Graphene

D. Alfé, P. Lacovig, P. Vilmercati, 2009 .

Transport in opal structures

J.O. Sofo, G.D. Mahan, G. Mahan, 1999, Eighteenth International Conference on Thermoelectrics. Proceedings, ICT'99 (Cat. No.99TH8407).

Development of a ReaxFF reactive force field for titanium dioxide/water systems.

A. V. van Duin, Sung-Yup Kim, Nitin Kumar, 2013, Langmuir : the ACS journal of surfaces and colloids.

n-Type behavior of graphene supported on Si/SiO(2) substrates.

P. Eklund, S. Tadigadapa, H. Gutiérrez, 2008, ACS nano.

Low Energy Phases of Bi Monolayer Predicted by Structure Search in Two Dimensions.

M. Amsler, A. Romero, Sobhit Singh, 2019, Journal of Physical Chemistry Letters.

J. Kubicki, J. Sofo, Mark J. DelloStritto, 2014, Journal of Physics: Condensed Matter.

Hydrogen Bonds and Vibrations of Water on (110) Rutile

P. Kent, D. Cole, Nitin Kumar, 2009 .