PCCP. Physical Chemistry Chemical Physics - An International Journal
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
Inhaltsverzeichnis
- 8967
-
Front cover| 2019
- 8968
-
Inside front cover| 2019
- 8969
-
Contents list| 2019
- 8988
-
Functional materials: making the world go roundWächtler, Maria / González, Leticia / Dietzek, Benjamin et al. | 2019
- 8992
-
Opportunities and challenges for electrochemistry in studying the electronic structure of nanocrystalsElectronic supplementary information (ESI) available: Raman spectra, EMAS fits, discussion of the phase information, EMAS signal of the substrate. See DOI: 10.1039/c9cp00301kWeber, Michelle / Westendorf, Sophia / Märker, Björn et al. | 2019
- 8992
-
Opportunities and challenges for electrochemistry in studying the electronic structure of nanocrystalsWeber, Michelle / Westendorf, Sophia / Märker, Björn et al. | 2019
- 9002
-
Nanoplatelet cryoaerogels with potential application in photoelectrochemical sensingElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00281bSchlosser, Anja / Meyer, Lea C. / Lübkemann, Franziska et al. | 2019
- 9002
-
Nanoplatelet cryoaerogels with potential application in photoelectrochemical sensingSchlosser, Anja / Meyer, Lea C. / Lübkemann, Franziska et al. | 2019
- 9013
-
Dynamic exciton localisation in a pyrene–BODIPY–pyrene dye conjugateAuerhammer, Nina / Schulz, Alexander / Schmiedel, Alexander et al. | 2019
- 9013
-
Dynamic exciton localisation in a pyrene–BODIPY–pyrene dye conjugateElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00908fAuerhammer, Nina / Schulz, Alexander / Schmiedel, Alexander et al. | 2019
- 9026
-
Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTBElectronic supplementary information (ESI) available: Parameters for the nonadiabatic dynamics and additional analysis of the electronic population and mechanisms. See DOI: 10.1039/c9cp00691eTran, Thierry / Prlj, Antonio / Lin, Kun-Han et al. | 2019
- 9026
-
Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTBTran, Thierry / Prlj, Antonio / Lin, Kun-Han et al. | 2019
- 9036
-
Influence of the average molar mass of poly(N-vinylpyrrolidone) on the dimensions and conductivity of silver nanowiresElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00680jSonntag, Luisa / Eichler, Franziska / Weiß, Nelli et al. | 2019
- 9036
-
Influence of the average molar mass of poly(N-vinylpyrrolidone) on the dimensions and conductivity of silver nanowiresSonntag, Luisa / Eichler, Franziska / Weiß, Nelli et al. | 2019
- 9044
-
Size-controllable and uniform gold bumpy nanocubes for single-particle-level surface-enhanced Raman scattering sensitivityChang, Hyejin / Lee, Yoon Young / Lee, Hye Eun et al. | 2019
- 9044
-
Size-controllable and uniform gold bumpy nanocubes for single-particle-level surface-enhanced Raman scattering sensitivityElectronic supplementary information (ESI) available: Growth conditions and size distributions of various samples, SEM images, extinction spectra, and polarization-dependent SERS spectra. See DOI: 10.1039/c9cp00138gChangThese two authors contributed equally to this work., Hyejin / Lee, Yoon Young / Lee, Hye Eun et al. | 2019
- 9052
-
Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theoryElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00335eMartynow, Miłosz / Kupfer, Stephan / Rau, Sven et al. | 2019
- 9052
-
Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theoryMartynow, Miłosz / Kupfer, Stephan / Rau, Sven et al. | 2019
- 9061
-
Theory of cyclic voltammetry in random arrays of cylindrical microelectrodes applied to carbon felt electrodes for vanadium redox flow batteriesTichter, Tim / Andrae, Dirk / Mayer, Jacob et al. | 2019
- 9069
-
Triangular graphene nanofragments: open-shell character and dopingSandoval-Salinas, María E. / Carreras, Abel / Casanova, David et al. | 2019
- 9069
-
Triangular graphene nanofragments: open-shell character and dopingElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00641aSandoval-Salinas, María E. / Carreras, Abel / Casanova, David et al. | 2019
- 9077
-
Excited states and excitonic interactions in prototypic polycyclic aromatic hydrocarbon dimers as models for graphitic interactions in carbon dotsShi, Baimei / Nachtigallová, Dana / Aquino, Adélia J. A. et al. | 2019
- 9077
-
Excited states and excitonic interactions in prototypic polycyclic aromatic hydrocarbon dimers as models for graphitic interactions in carbon dotsElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00635dShi, Baimei / Nachtigallová, Dana / Aquino, Adélia J. A. et al. | 2019
- 9089
-
The impact of carbonate solvents on the self-discharge, thermal stability and performance retention of high voltage electrochemical double layer capacitorsHess, Lars H. / Wittscher, Ladyna / Balducci, Andrea et al. | 2019
- 9089
-
The impact of carbonate solvents on the self-discharge, thermal stability and performance retention of high voltage electrochemical double layer capacitorsElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00483aHess, Lars H. / Wittscher, Ladyna / Balducci, Andrea et al. | 2019
- 9098
-
Photoisomerization of azobenzene-substituted alkanethiolates on Au(111) substrates in the context of work function variation: the effect of structure and packing densitySchuster, Swen / Füser, Matthia / Asyuda, Andika et al. | 2019
- 9106
-
Photoionization studies of reactive intermediates using synchrotron radiationElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00623kDyke, John M. et al. | 2019
- 9106
-
Photoionization studies of reactive intermediates using synchrotron radiationDyke, John M. et al. | 2019
- 9137
-
Enhancing electrocatalysis for hydrogen production over CoP catalyst by strain: a density functional theory studyLiu, Fanghan / Liu, Cong / Zhong, Xiaoliang et al. | 2019
- 9137
-
Enhancing electrocatalysis for hydrogen production over CoP catalyst by strain: a density functional theory studyElectronic supplementary information (ESI) available: DFT calculation methods details, calculation of ΔGH and d-band shift of CoP (101) surface under strain. See DOI: 10.1039/c9cp00128jLiu, Fanghan / Liu, Cong / Zhong, Xiaoliang et al. | 2019
- 9141
-
Radiolysis of supercritical water at 400 °C: density dependence of the rate constant for the reaction of hydronium ions with hydrated electronsMeesungnoen, Jintana / Jay-Gerin, Jean-Paul et al. | 2019
- 9145
-
Structural determinants of coiled coil mechanicsLópez-García, Patricia / Goktas, Meli / Bergues-Pupo, Ana E. et al. | 2019
- 9145
-
Structural determinants of coiled coil mechanicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00665fLópez-García, Patricia / Goktas, Melis / Bergues-Pupo, Ana E. et al. | 2019
- 9150
-
Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulationLi, Keyao / Shi, Ruili / Tang, Lingli et al. | 2019
- 9150
-
Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulationElectronic supplementary information (ESI) available: A table of the bond length of CH4 in mono-cages. See DOI: 10.1039/c8cp07207hLi, Keyao / Shi, Ruili / Tang, Lingli et al. | 2019
- 9159
-
Mechanical properties of molybdenum diselenide revealed by molecular dynamics simulation and support vector machineWang, Xinyu / Hong, Yang / Wang, Man et al. | 2019
- 9168
-
Development of a potential energy surface for the O3–Ar system: rovibrational states of the complexSur, Sangeeta / Quintas-Sánchez, Ernesto / Ndengué, Steve A. et al. | 2019
- 9168
-
Development of a potential energy surface for the O3–Ar system: rovibrational states of the complexElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01044kSur, Sangeeta / Quintas-Sánchez, Ernesto / Ndengué, Steve A. et al. | 2019
- 9181
-
A new insight into the SO2 adsorption behavior of oxidized carbon materials using model adsorbents and DFT calculationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07782gPi, Xinxin / Sun, Fei / Gao, Jihui et al. | 2019
- 9181
-
A new insight into the SO2 adsorption behavior of oxidized carbon materials using model adsorbents and DFT calculationsPi, Xinxin / Sun, Fei / Gao, Jihui et al. | 2019
- 9189
-
Structural analysis of helicene molecules adsorbed on symmetric surfacesTuca, Emilian / Paci, Irina et al. | 2019
- 9200
-
Imaging inelastic scattering of CO with argon: polarization dependent differential cross sectionsSun, Zhong-Fa / Bishwakarma, Chandan K. / Song, Lei et al. | 2019
- 9212
-
The multiple dissociation constants of glutathione disulfide: interpreting experimental pH-titration curves with ab initio MD simulationsArunachalam, Vaishali / Tummanapelli, Anil Kumar / Vasudevan, Sukumaran et al. | 2019
- 9212
-
The multiple dissociation constants of glutathione disulfide: interpreting experimental pH-titration curves with ab initio MD simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00761jArunachalam, Vaishali / Tummanapelli, Anil Kumar / Vasudevan, Sukumaran et al. | 2019
- 9218
-
The effect of co-adsorbed solvent molecules on H2 binding to metal alkoxidesColón, Yamil J. / Snurr, Randall Q. et al. | 2019
- 9218
-
The effect of co-adsorbed solvent molecules on H2 binding to metal alkoxidesElectronic supplementary information (ESI) available: Comparison between different levels of theory, tabulated values for binding energies and solvent release temperatures, and coordinates of optimized geometries. See DOI: 10.1039/c9cp00754gColón, Yamil J. / Snurr, Randall Q. et al. | 2019
- 9225
-
COSMOplex: self-consistent simulation of self-organizing inhomogeneous systems based on COSMO-RSElectronic supplementary information (ESI) available: A description of the AUTOBOX algorithm used for the preparation of COSMOplex input distributions and experimental reference values for different systems. See DOI: 10.1039/c9cp01169bKlamt, Andreas / Schwöbel, Johannes / Huniar, Uwe et al. | 2019
- 9225
-
COSMOplex: self-consistent simulation of self-organizing inhomogeneous systems based on COSMO-RSKlamt, Andrea / Schwöbel, Johanne / Huniar, Uwe et al. | 2019
- 9239
-
Laboratory EXAFS determined structure of the stable complexes in the ternary Ni(ii)–EDTA–CN− systemNémeth, Zoltán / Bajnóczi, Éva G. / Csilla, Bogdán et al. | 2019
- 9246
-
Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene familyBaryshnikov, G. V. / Valiev, R. R. / Cherepanov, V. N. et al. | 2019
- 9246
-
Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene familyElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01608bBaryshnikov, G. V. / Valiev, R. R. / Cherepanov, V. N. et al. | 2019
- 9255
-
Conformational preference and cationic structure of 2-methylpyrazine by VUV-MATI spectroscopy and natural bond orbital analysisKang, Do Won / Kim, Hong Lae / Kwon, Chan Ho et al. | 2019
- 9265
-
Impact of charge state on 193 nm ultraviolet photodissociation of protein complexesElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01144gSipe, Sarah N. / Brodbelt, Jennifer S. et al. | 2019
- 9265
-
Impact of charge state on 193 nm ultraviolet photodissociation of protein complexesSipe, Sarah N. / Brodbelt, Jennifer S. et al. | 2019
- 9277
-
Visualizing the coordination-spheres of photoexcited transition metal complexes with ultrafast hard X-raysKhakhulin, D. / Lawson Daku, L. M. / Leshchev, D. et al. | 2019
- 9277
-
Visualizing the coordination-spheres of photoexcited transition metal complexes with ultrafast hard X-raysElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01263jKhakhulin, D. / Lawson Daku, L. M. / Leshchev, D. et al. | 2019
- 9285
-
Ionized water confined in graphene nanochannelsde Aquino, Belisa R. H. / Ghorbanfekr-Kalashami, H. / Neek-Amal, M. et al. | 2019
- 9296
-
Electronic structures and transport properties of SnS–SnSe nanoribbon lateral heterostructuresElectronic supplementary information (ESI) available: Geometric and electronic structures of nanoribbons. See DOI: 10.1039/c9cp00427kYang, Yang / Zhou, Yuhao / Luo, Zhuang et al. | 2019
- 9296
-
Electronic structures and transport properties of SnS–SnSe nanoribbon lateral heterostructuresYang, Yang / Zhou, Yuhao / Luo, Zhuang et al. | 2019
- 9302
-
Enhancing high harmonic generation by the global optimization of a two-color chirped laser fieldMofared, Mohammad / Irani, Elnaz / Sadighi-Bonabi, Rasoul et al. | 2019
- 9310
-
Topological Dirac states in transition-metal monolayers on graphyneElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01153fWangThese authors contributed equally to this work., Kai / Zhang, Yun / Zhao, Wei et al. | 2019
- 9310
-
Topological Dirac states in transition-metal monolayers on graphyneWang, Kai / Zhang, Yun / Zhao, Wei et al. | 2019
- 9317
-
Microscopic origin of the scattering pre-peak in aqueous propylamine mixtures: X-ray and neutron experiments versus simulationsAlmásy, László / Kuklin, Alexander I. / Požar, Martina et al. | 2019
- 9326
-
Theoretical analysis of glyoxal condensation with ammonia in aqueous solutionElectronic supplementary information (ESI) available: Fig. S1. Ethanediimine formation from trans- and cis-glyoxal and ammonia. The G and H values (kcal mol−1) of the structure in solution as positions on the PES are marked in black and red, respectively, above the corresponding structure. The Gibbs free energy and enthalpy of activation values (ΔG# and ΔH#) of the stages are marked above the corresponding stage in orange and green, respectively. Fig. S2. The formation of experimentally identified products of the interaction of glyoxal with ammonia. The G and H values of the structure in solution as a position on the PES are marked in black and red (kcal mol−1), respectively, above the corresponding structure. Table S1. The Gibbs free energies and enthalpies of the structures in solution and the PES positions of all structures of the proposed mechanisms of interaction between glyoxal and ammonia. Table S2. Transition states with the participation of one water molecule. Table S3. Cartesian coordinates of the most stable states for all structures. Table S4. Cartesian coordinates of the transition states. See DOI: 10.1039/c8cp07270aTuguldurova, Vera P. / Fateev, Alexander V. / Poleshchuk, Oleg Kh. et al. | 2019
- 9326
-
Theoretical analysis of glyoxal condensation with ammonia in aqueous solutionTuguldurova, Vera P. / Fateev, Alexander V. / Poleshchuk, Oleg Kh. et al. | 2019
- 9335
-
Silicene-supported TiO2 nanostructures: a theoretical study of electronic and optical propertiesElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00894bJagvaral, Yesukhei / Guo, Qing / He, Haiying et al. | 2019
- 9335
-
Silicene-supported TiO2 nanostructures: a theoretical study of electronic and optical propertiesJagvaral, Yesukhei / Guo, Qing / He, Haiying et al. | 2019
- 9342
-
Computer simulations of the adsorption of an N-terminal peptide of statherin, SN15, and its mutants on hydroxyapatite surfacesLuo, Muzhong / Gao, Yuan / Yang, Shengjiang et al. | 2019
- 9342
-
Computer simulations of the adsorption of an N-terminal peptide of statherin, SN15, and its mutants on hydroxyapatite surfacesElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01638dLuoM. Z. Luo and Y. Gao contributed equally to this work., Muzhong / Gao, Yuan / Yang, Shengjiang et al. | 2019
- 9352
-
Which types of clay minerals fix cesium ions effectively? the “cavity-charge matching effect”Yamamoto, Takahiro / Takigawa, Tomoaki / Fujimura, Takuya et al. | 2019
- 9352
-
Which types of clay minerals fix cesium ions effectively? the "cavity-charge matching effect"Electronic supplementary information (ESI) available: Fig. S1. Time-course of substitution ratio from K+ to Na+ for vermiculite, phlogopite G325, phlogopite N and biotite. Fig. S2. XRD patterns for K+ (i) and Na+ (ii) phlogopite G325. The patterns for swelled (iii) and unhydrated condition (iv) are shown for Na+ – phlogopite G325. Fig. S3. Time-course for Cs+ adsorption by Na+ substituted clay minerals. Fig. S4. XRD pattern for phlogopite GS325 (top) and phlogopite N (bottom) under dry (broken line) and wet (solid line) conditions. Fig. S5. Two clay sheets, where (number of negative charge/number of SDC cavity of the clay) = 0.5, can form interlocking structure. Fig. S6. The relationship between (number of negative charge/number of SDC cavity of the clay) and the desorption ratio. Open symbols and dotted line: desorption behavior, closed symbols and bold line: adsorption behavior. See DOI: 10.1039/c9cp00457bYamamoto, Takahiro / Takigawa, Tomoaki / Fujimura, Takuya et al. | 2019
- 9357
-
Chlorine-assisted fabrication of hybrid supramolecular structures via electrostatic interactionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01046gXie, Lei / Ding, Yuanqi / Wang, Xinyi et al. | 2019
- 9357
-
Chlorine-assisted fabrication of hybrid supramolecular structures via electrostatic interactionsXie, Lei / Ding, Yuanqi / Wang, Xinyi et al. | 2019
- 9362
-
Structure and proton conduction in sulfonated poly(ether ether ketone) semi-permeable membranes: a multi-scale computational approachMolina, Jarol / de Pablo, Juan J. / Hernández-Ortiz, Juan P. et al. | 2019
- 9376
-
Mechanistic study of the reaction of CH2F2 with Cl atoms in the absence and presence of CH4 or C2H6: decomposition of CHF2OH and fate of the CHF2O radicalElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06425cØsterstrøm, Freja F. / AndersenCurrent address: Ergonomics and Aerosol Technology, Lund University, Box 118, SE-221 00 Lund, Sweden., Christina / da Silva, Gabriel et al. | 2019
- 9376
-
Mechanistic study of the reaction of CH2F2 with Cl atoms in the absence and presence of CH4 or C2H6: decomposition of CHF2OH and fate of the CHF2O radicalØsterstrøm, Freja F. / Andersen, Christina / da Silva, Gabriel et al. | 2019
- 9384
-
Role of the carbon source in the transformation of amorphous carbon to graphene during rapid thermal processingElectronic supplementary information (ESI) available: Temperature selection for the a-C-to-graphene transformation; validation for the ReaxFF potential. See DOI: 10.1039/c9cp01305aLi, Xiaowei / Zhou, Yong / Xu, Xiaowei et al. | 2019
- 9384
-
Role of the carbon source in the transformation of amorphous carbon to graphene during rapid thermal processingLi, Xiaowei / Zhou, Yong / Xu, Xiaowei et al. | 2019
- 9391
-
Ligand induced structure and property changes of 1T-MoS2Linghu, Yaoyao / Li, Na / Du, Yaping et al. | 2019
- 9391
-
Ligand induced structure and property changes of 1T-MoS2Electronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00917eLinghu, Yaoyao / Li, Na / Du, Yaping et al. | 2019
- 9399
-
Effect of electron correlation in the decomposition of core level binding energy shifts into initial and final state contributionsFigueras, Marc / Sousa, Carmen / Illas, Francesc et al. | 2019
- 9399
-
Effect of electron correlation in the decomposition of core level binding energy shifts into initial and final state contributionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01569hFigueras, Marc / Sousa, Carmen / Illas, Francesc et al. | 2019
- 9407
-
Computational study of the mixed B-site perovskite SmBxCo1−xO3−d (B = Mn, Fe, Ni, Cu) for next generation solid oxide fuel cell cathodesOlsson, Emilia / Cottom, Jonathon / Aparicio-Anglès, Xavier et al. | 2019
- 9407
-
Computational study of the mixed B-site perovskite SmBxCo1−xO3−d (B = Mn, Fe, Ni, Cu) for next generation solid oxide fuel cell cathodesElectronic supplementary information (ESI) available: Summary of the interatomic potential parameters used for the calculation of thermal expansion coefficients (Table S1), a graphical representation of the different magnetic structures investigated in the main article (Fig. S1), a description on how to obtain chemical potential phase diagrams and link this to the oxygen vacancy formation energy; chemical potential phase diagrams for SmMnO3 and SmFeO3 (Fig. S2); a complete list of all the differences in energy between the different dopant configurations in the individual systems (Table S2); the B–O bond lengths for the most stable structures (Table S3); Bader charges for SmBxCo1−xO3 (Table S4), the magnetic structures calculated for SmBO3 and their relative energies (Table S5); larger DOS (Fig. S3–S7), and electrical conductivities for all systems (Table S6). Additionally, a table with all the oxygen vacancy positions and oxygen vacancy formation energies is included in Table S7, and thermal expansion coefficients in Table S8. See DOI: 10.1039/c9cp00995gOlsson, Emilia / Cottom, Jonathon / Aparicio-Anglès, Xavier et al. | 2019
- 9419
-
Ferrocenes with simple chiral substituents: an in-depth theoretical and experimental VCD and ECD studyPatti, Angela / Pedotti, Sonia / Mazzeo, Giuseppe et al. | 2019
- 9419
-
Ferrocenes with simple chiral substituents: an in-depth theoretical and experimental VCD and ECD studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00437hPatti, Angela / Pedotti, Sonia / MazzeoGM and LP play a primary role in this work., Giuseppe et al. | 2019
- 9433
-
Prediction of the near-IR spectra of ices by ab initio molecular dynamicsEscribano, Rafael / Gómez, Pedro C. / Maté, Belén et al. | 2019
- 9441
-
Tuning of the surface plasmon resonance of aluminum nanoshell near-infrared regimesPathak, Nilesh Kumar / Parthasarathi, / Kumar, P. Senthil et al. | 2019
- 9441
-
Tuning of the surface plasmon resonance of aluminum nanoshell near-infrared regimesElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01115cPathak, Nilesh Kumar / Kumar, P. Senthil / Sharma, R. P. et al. | 2019
- 9450
-
Protein conformational alterations induced by the retinal excited state in proton and sodium pumping rhodopsinsGhosh, Mihir / Jung, Kwang-Hwan / Sheves, Mordechai et al. | 2019
- 9450
-
Protein conformational alterations induced by the retinal excited state in proton and sodium pumping rhodopsinsElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00681hGhosh, Mihir / Jung, Kwang-Hwan / Sheves, Mordechai et al. | 2019
- 9456
-
Functional properties of donor- and acceptor-co-doped high dielectric constant zinc oxide ceramicsSilva, Raphael Lucas de Sousa e / Banerjee, Prasun / Franco Júnior, Adolfo et al. | 2019
- 9465
-
Does aromaticity account for an enhanced thermodynamic stability? The case of monosubstituted azaborines and the stereoelectronic chameleonism of the NH2 groupElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01011dBaranac-Stojanović, Marija / Stojanović, Milovan et al. | 2019
- 9465
-
Does aromaticity account for an enhanced thermodynamic stability? The case of monosubstituted azaborines and the stereoelectronic chameleonism of the NH2 groupBaranac-Stojanović, Marija / Stojanović, Milovan et al. | 2019
- 9477
-
An analytical model for the bending of radial nanowire heterostructuresElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00434cZang, Hang / Chen, Huadong / Li, Xinlei et al. | 2019
- 9477
-
An analytical model for the bending of radial nanowire heterostructuresZang, Hang / Chen, Huadong / Li, Xinlei et al. | 2019
- 9483
-
Charged nanoporous graphene membranes for water desalinationNguyen, Chinh Thanh / Beskok, Ali et al. | 2019
- 9483
-
Charged nanoporous graphene membranes for water desalinationElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01079cNguyen, Chinh Thanh / Beskok, Ali et al. | 2019
- 9495
-
Conformational isomers of trans-urocanic acid observed by rotational spectroscopyCooper, Graham A. / Medcraft, Chri / Gougoula, Eva et al. | 2019
- 9495
-
Conformational isomers of trans-urocanic acid observed by rotational spectroscopyElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00651fCooper, Graham A. / Medcraft, Chris / Gougoula, Eva et al. | 2019
- 9504
-
Self-ordering of chemisorbed PTCDA molecules on Ge(001) driven by repulsive forcesKocán, Pavel / Pieczyrak, Barbara / Jurczyszyn, Leszek et al. | 2019
- 9504
-
Self-ordering of chemisorbed PTCDA molecules on Ge(001) driven by repulsive forcesElectronic supplementary information (ESI) available: Additional DFT results and animation of considered structural models. See DOI: 10.1039/c9cp01335kKocán, Pavel / Pieczyrak, Barbara / Jurczyszyn, Leszek et al. | 2019
- 9512
-
Enhancement of the band edge emission of CdSe nano-tetrapods by suppression of surface trappingBanerjee, Sucheta / Maddala, Bala Gopal / Ali, Fariyad et al. | 2019
- 9520
-
Potential blockade of the human voltage-dependent anion channel by MoS2 nanoflakesGu, Zonglin / Song, Wei / Liu, Shengtang et al. | 2019
- 9520
-
Potential blockade of the human voltage-dependent anion channel by MoS2 nanoflakesElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00195fGuThese authors contributed equally to this work., Zonglin / Song, Wei / Liu, Shengtang et al. | 2019
- 9531
-
The importance of charge redistribution during electrochemical reactions: a density functional theory study of silver orthophosphate (Ag3PO4)Cao, Xi / Zhang, Xueqing / Sinha, Rochan et al. | 2019
- 9531
-
The importance of charge redistribution during electrochemical reactions: a density functional theory study of silver orthophosphate (Ag3PO4)Electronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07684gCao, Xi / Zhang, Xueqing / Sinha, Rochan et al. | 2019
- 9538
-
Multi-scale modeling of early-stage morphology in solution-processed polycrystalline thin filmsPatrick, David L. / Schaaf, Cyru / Morehouse, Robell et al. | 2019
- 9538
-
Multi-scale modeling of early-stage morphology in solution-processed polycrystalline thin filmsElectronic supplementary information (ESI) available: Epifluorescence microscopy video showing crystal nucleation and growth; video showing evolution of the monomer concentration landscape computed by the model. See DOI: 10.1039/c9cp01238aPatrick, David L. / Schaaf, Cyrus / Morehouse, Robell et al. | 2019
- 9547
-
Picosecond self-diffusion in ethanol–water mixturesSeydel, Tilo / Edkins, Robert M. / Edkins, Katharina et al. | 2019
- 9547
-
Picosecond self-diffusion in ethanol–water mixturesElectronic supplementary information (ESI) available: Tabulated values of diffusion coefficients and residence times, figures depicting instrument resolution fits, example QENS spectra, and further fit parameters. See DOI: 10.1039/c9cp01982kSeydel, Tilo / Edkins, Robert M. / Edkins, Katharina et al. | 2019
- 9553
-
Tailoring the interparticle distance in Langmuir nanoparticle filmsBenkovičová, Monika / Hološ, Ana / Nádaždy, Peter et al. | 2019
- 9564
-
Tunable photoluminescence from interconnected graphene network with potential to enhance the efficiency of a hybrid Si nanowire solar cellMihalache, Iuliana / Purcarea, Alexandra / Vasile, Eugeniu et al. | 2019
- 9574
-
Piezo-phototronic effect-modulated carrier transport behavior in different regions of a Si/CdS heterojunction photodetector under a Vis–NIR wavebandZhao, Zhi-Hao / Dai, Yejing et al. | 2019
- 9574
-
Piezo-phototronic effect-modulated carrier transport behavior in different regions of a Si/CdS heterojunction photodetector under a Vis–NIR wavebandElectronic supplementary information (ESI) available: (A) The SEM images of the p-Si surface after the wet etching process and the CdS NW array on the p-Si wafer surface; (B) the UV/NIR absorption of CdS NWs; (C) the detectivity D* and external quantum efficiency EQE of the device under different strains at different power densities (808 nm, 650 nm and 442 nm); (D) the calculation method of the rise time and fall time for the normalized output current; (E) Kubelka–Munk plots of (αhv)2versus photon energy for the calculation of the band gap energy of CdS NWs. See DOI: 10.1039/c9cp00415gZhao, Zhi-Hao / Dai, Yejing et al. | 2019
- 9581
-
Effect of Li concentration-dependent material properties on diffusion induced stresses of a Sn anodeElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00559eHongChung Su Hong, Nadeem Qasier and Hyeon Gyun Nam contributed equally., Chung Su / Qaiser, Nadeem / Nam, Hyeon Gyun et al. | 2019
- 9581
-
Effect of Li concentration-dependent material properties on diffusion induced stresses of a Sn anodeHong, Chung Su / Qaiser, Nadeem / Nam, Hyeon Gyun et al. | 2019
- 9590
-
Chemical bonding analysis of excited states using the adaptive natural density partitioning methodElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp00379gTkachenko, Nikolay V. / Boldyrev, Alexander I. et al. | 2019
- 9590
-
Chemical bonding analysis of excited states using the adaptive natural density partitioning methodTkachenko, Nikolay V. / Boldyrev, Alexander I. et al. | 2019
- 9597
-
Giant contribution of the ligand states to the magnetic properties of the Cr2Ge2Te6 monolayerWang, Kangying / Nikolaev, Sergey / Ren, Wei et al. | 2019
- 9605
-
Correction: Different hydrogen bonding environments of the retinal protonated Schiff base control the photoisomerization in channelrhodopsin-2Guo, Yanan / Wolff, Franziska E. / Schapiro, Igor et al. | 2019
- 9607
-
Inside back cover| 2019
- 9608
-
Back cover| 2019