Publications - Articles
2020
499.
[Englisch]
D.
Gaissmaier,
M.
Van den Borg,
D.
Fantauzzi and
T.
Jacob,
"Microscopic Properties of Na and Li—A First Principle Study of Metal Battery Anode Materials"
,
ChemSusChem,
vol. 13,
pp. 771 – 783,
2020.
Wiley-VCH.
| DOI: | DOI: 10.1002/cssc.201902860 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0198_Na_Li_Diffusion_Batteries_ChemSusChem.pdf |
498.
[Englisch]
D.
Esau,
F. M.
Schuett,
K. L.
Varvaris,
J.
Björk,
T.
Jacob and
G.
Jerkiewicz,
"Controlled-Atmosphere Flame Fusion Growth of Nickel Poly-oriented Spherical Single Crystals—Unraveling Decades of Impossibility"
,
Electrocatalysis,
pp. 1 - 13; 25 - 34,
2020.
Springer Science+Business Media.
| DOI: | https://doi.org/10.1007/s12678-019-00575-w |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0196_Ni_SingleCrystals_Electrocatal.pdf |
497.
[Englisch]
B.
Kirchhoff,
L.
Braunwarth,
C.
Jung,
H.
Jonsson,
D.
Fantauzzi and
T.
Jacob,
"Simulations of the Oxidation and Degradation of Platinum Electrocatalysts"
,
Small,
vol. 16,
pp. 1 - 7,
2020.
Wiley-VCH.
| DOI: | doi.org/10.1002/smll.201905159 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0195_Pt_Nanoparticles_Small.pdf |
496.
[Englisch]
A. V.
Rudnev,
M. R.
Ehrenburg,
E. B.
Molodkina,
A.
Abdelrahman,
M.
Arenz,
P.
Broekmann and
T.
Jacob,
"Structural Changes of Au(111) Single-Crystal Electrode Surface in Ionic Liquids"
,
ChemElectroChem,
vol. 7,
pp. 501 - 508,
2020.
Wiley-VCH.
| DOI: | DOI: 10.1002/celc.201902010 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0197_Au_111__STM_stability_ChemElectroChem.pdf |
495.
I.
Krivtsov,
D.
Mitoraj,
C.
Adler,
M.
Ilkaeva,
M.
Sardo,
L.
Mafra,
C.
Neumann,
A.
Turchanin,
C.
Li,
B.
Dietzek,
R.
Leiter,
J.
Biskupek,
U.
Kaiser,
C.
Im,
B.
Kirchhoff,
T.
Jacob and
R.
Beranek,
"Water-Soluble Polymeric Carbon Nitride Colloidal Nanoparticles for Highly Selective Quasi-Homogeneous Photocatalysis"
,
Angwandte Chemie,
vol. 132,
pp. 495 - 503,
2020.
Wiley-VCH GmbH & Co. KGaA.
| DOI: | DOI: 10.1002/ange.201913331 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0194_CN_x_AngewandteChemie-de.pdf |
494.
[Englisch]
I.
Krivtsov,
D.
Mitoraj,
C.
Adler,
M.
Ilkaeva,
M.
Sardo,
L.
Mafra,
C.
Neumann,
A.
Turchanin,
C.
Li,
B.
Dietzek,
R.
Leiter,
J.
Biskupek,
U.
Kaiser,
C.
Im,
B.
Kirchhoff,
T.
Jacob and
R.
Beranek,
"Water-Soluble Polymeric Carbon Nitride Colloidal Nanoparticles for Highly Selective Quasi-Homogeneous Photocatalysis"
,
Angewandte Chemie,
vol. 59,
pp. 487 – 495,
2020.
Wiley-VCH.
| DOI: | DOI: 10.1002/anie.201913331 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0194_CN_x_AngewandteChemie_en.pdf |
2019
493.
C.
Jung,
L.
Braunwarth and
T.
Jacob,
"Grand Canonical ReaxFF Molecular Dynamics Simulations for Catalytic Reactions"
,
Journal of Chemical Theory and Computation,
vol. 15,
pp. 5810−5816,
Sep.
2019.
ACS Publications.
| DOI: | 10.1021/acs.jctc.9b00687 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0192_GCMD_JChemTheoComp.pdf |
492.
X.
Lv,
W.
Wei,
P.
Zhao,
D.
Er,
B.
Huang,
Y.
Dai and
T.
Jacob,
"Oxygen-terminated BiXenes and derived single atom catalysts for the hydrogen evolution reaction"
,
Journal of Catalysis,
vol. 378,
pp. 97–103,
Sep.
2019.
Elsevier Inc..
| DOI: | 10.1016/j.jcat.2019.08.019 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0191_MXenes_JCatal.pdf |
491.
A.
Abdelrahman,
J. M.
Hermann,
T.
Jacob and
L.
Kibler,
"Adsorption of Acetate on Au(111): An in-situ Scanning Tunnelling Microscopy Study and Implications on Formic Acid Electrooxidation"
,
ChemPhysChem,
vol. 20,
pp. 2989 – 2996,
Aug.
2019.
Wiley-VCH.
| DOI: | 10.1002/cphc.201900560 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0193_Acetate_Au111_ChemPhysChem.pdf |
490.
M.
Anjass,
K.
Kastner,
F.
Nägele,
M.
Ringenberg,
J. F.
Boas,
J.
Zhang,
A. M.
Bond,
T.
Jacob and
C.
Streb,
"Antwort auf den Kommentar zu „Stabilisierung eines niedrigvalenten Eisen(I)-Ions in einem hochvalentem molekularen Vanadium(V) Oxid-Cluster“"
,
Angewandte Chemie,
vol. 131,
pp. 10151 – 10153,
Jul.
2019.
Wiley-VCH.
| DOI: | 10.1002/ange.201902460 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0190_Reply_Comment_Sproules_ACIE_de.pdf |
489.
M.
Anjass,
K.
Kastner,
F.
Nägele,
M.
Ringenberg,
J. F.
Boas,
J.
Zhang,
A. M.
Bond,
T.
Jacob and
C.
Streb,
"Reply to Comment on Stabilization of Low-Valent Iron(I) in a High-Valent Vanadium(V) Oxide Cluster"
,
Angewandte Chemie,
vol. 58,
pp. 10048 – 10050,
Jul.
2019.
Wiley-VCH.
| DOI: | 10.1002/anie.201902460 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0190_Reply_Comment_Sproules_ACIE_en.pdf |
488.
M.
Eckl,
S.
Zaubitzer,
C.
Köntje,
A.
Farkas,
L.
Kibler and
T.
Jacob,
"An Electrochemical Route for Hot Alkaline Blackening of Steel: A Nitrite Free Approach"
,
Surfaces,
vol. 2,
pp. 1 - 12,
2019.
MDPI.
| DOI: | 10.3390/surfaces2020000 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0187_Bruenieren_Surfaces.pdf |
487.
A.
Gili,
L.
Schlicker,
M. F.
Bekheet,
O.
Görke,
D.
Kober,
U.
Simon,
P.
Littlewood,
R.
Schomäker,
A.
Doran,
D.
Gaissmaier,
T.
Jacob,
S.
Selve and
A.
Gurlo,
"Revealing the Mechanism of Multiwalled Carbon Nanotube Growth on Supported Nickel Nanoparticles by in Situ Synchrotron X‐ray Diffraction, Density Functional Theory, and Molecular Dynamics Simulations"
,
ACS Catalysis,
vol. 9,
pp. 6999-7011,
2019.
ACS Publications.
| DOI: | 10.1021/acscatal.9b00733 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0189_Ni_C_ACSCatal.pdf |
486.
A. A.
Rulev,
A. V.
Sergeev,
L. V.
Yashina,
T.
Jacob and
D. M.
Itkis,
"Electromigration in Lithium Whisker Formation Plays Insignificant Role during Electroplating"
,
ChemElectroChem,
vol. 6,
pp. 1324 – 1328,
2019.
Wiley-VCH Verlag GmbH & Co.KKaA.
| DOI: | 10.1002/celc.201801652 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0184_Li-dendrites_ChemElectroChem.pdf |
485.
[englisch]
F.
Li,
W.
Wei,
H.
Wang,
B.
Huang,
Y.
Dai and
T.
Jacob,
"Intrinsic Electric Field-Induced Properties in Janus MoSSe van der Waals Structures"
,
The Journal of Physical Chemistry Letters 2019,
vol. 10,
pp. 559 - 565,
2019.
ACS Publications.
| DOI: | 10.1021/acs.jpclett.8b03463 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0183_MoSSe_vdW_Janus_JCPLett.pdf |
484.
L.
Blume,
U.
Sauter and
T.
Jacob,
"Non-linear kinetics of the lithium-solid polymer electrolyte interface"
,
Electrochimica Acta,
vol. 318,
pp. 551 - 559,
2019.
Elsevier Ltd.
| DOI: | 10.1016/j.electacta.2019.06.070 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0186_NonLinear_Kinetics_Batteries_ElectrochimActa.pdf |
483.
T. E.
Gorelik,
R.
Neder,
M. W.
Terban,
Z.
Lee,
X.
Mu,
C.
Jung,
T.
Jacob and
U.
Kaiser,
"Towards quantitative treatment of electron pair distribution function"
,
Acta Crystallographica,
vol. 75,
pp. 532–549,
2019.
International Union of Crystallography.
| DOI: | 10.1107/S205252061900670X |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0188_PDF_water_ActaCrystB.pdf |
482.
D.
Gaissmaier,
D.
Fantauzzi and
T.
Jacob,
"First principles studies of self-diffusion processes on metallic lithium surfaces"
,
The Journal of Chemical Physics,
vol. 150,
no. 041723,
pp. 1 - 14,
2019.
AIP Publishing.
| DOI: | 10.1063/1.5056226 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0181_Li_self-diffusion_JCP.pdf |
481.
A.
Rajagopal,
F.
Venter,
T.
Jacob,
L.
Petermann,
S.
Rau,
S.
Tschierlei and
C.
Streb,
"Homogeneous visible light-driven hydrogen evolution by the molecular molybdenum sulfide model [Mo2S12]2"
,
Sustainable Energy Fuels,
vol. 3,
pp. 92 – 95,
2019.
The Royal Society of Chemistry.
| DOI: | 10.1039/c8se00346g |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0182_HER_Mo2S12_SusEnergFuels.pdf |
480.
A.
Galal,
H. K.
Hassan,
N. F.
Atta and
T.
Jacob,
"Energy and cost-efficient nano-Ru-based perovskites/RGO composites for application in high performance supercapacitors
"
,
Journal of Colloid and Interface Science,
vol. 538,
pp. 578 – 586,
2019.
Elsevier Inc..
| DOI: | 10.1016/j.jcis.2018.12.018 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0179_Ru-perovskite_RGO_Part-II_JCollInterfSoc.pdf |
479.
M. U.
Ceblin,
S.
Zeller,
L.
Kibler,
T.
Jacob and
B.
Schick,
"Electrodeposition of Ag onto Au(111) from Deep Eutectic Solvents"
,
ChemElectroChem,
vol. 6,
pp. 141 – 146,
2019.
Wiley-VCH.
| DOI: | 10.1002/celc.201801192 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0180_Ag_DES_Ceblin_ChemElectroChem.pdf |
2018
478.
J. M.
Hermann,
Y.
Mattausch,
A.
Weiß,
T.
Jacob and
L.
Kibler,
"Enhanced Electrocatalytic Oxidation of Formic Acid on Au(111) in the Presence of Pyridine
"
,
Journal of The Electrochemical Society,
vol. 165,
pp. J3192 - J3198,
Oct.
2018.
| DOI: | 10.1149/2.0251815jes |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0178_Pyridine_HCOOH_Au111_Adzic-Issue_JElectrochemSoc.pdf |
477.
A.
Scalia,
A.
Varzi,
A.
Lamberti,
T.
Jacob and
S.
Passerini,
"Portable High Voltage Integrated Harvesting-Storage Device Employing Dye-Sensitized Solar Module and All-Solid-State Electrochemical Double Layer Capacitor"
,
Frontiers in Chemistry,
vol. 6,
no. 443,
pp. 1 - 8,
Sep.
2018.
| DOI: | 10.3389/fchem.2018.00443 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0176_SolarSupercap_FrontChem.pdf |
476.
S.
Hu,
W.
Xu,
X.
Qiu,
J.
Zhu,
J.
Björk,
T.
Jacob,
C.
Yuan,
J.
Zou,
L.
Xu,
L.
Cai,
H.
Ju,
H.
Ma,
J.
Pan,
Z.
Zha,
M.
Bao,
Q.
Sun,
M.
Liu and
X.
Yu,
"Direct Formation of C−C Double-Bonded Structural Motifs by On-Surface Dehalogenative Homocoupling of gem- Dibromomethyl Molecules"
,
ACS Nano,
vol. 12,
pp. 7959−7966,
Jul.
2018.
| DOI: | 10.1021/acsnano.8b02459 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0177_CC_DoubleBond_ACSNano.pdf |
475.
L.
Kibler,
J. M.
Hermann,
A.
Abdelrahman,
A. A.
El-Aziz and
T.
Jacob,
"New insights on hydrogen evolution at Au single crystal electrodes"
,
Current Opinion in Electrochemistry,
vol. 9,
pp. 265–270,
2018.
| DOI: | 0.1016/j.coelec.2018.05.013 |
| File: | fileadmin/website_uni_ulm/nawi.inst.080/publikationen/0174_HER_Au_CurrOpElectrochem.pdf |