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1.
Nature ; 588(7838): 424-428, 2020 12.
Artigo em Inglês | MEDLINE | ID: mdl-33328663

RESUMO

Exotic states such as topological insulators, superconductors and quantum spin liquids are often challenging or impossible to create in a single material1-3. For example, it is unclear whether topological superconductivity, which has been suggested to be a key ingredient for topological quantum computing, exists in any naturally occurring material4-9. The problem can be circumvented by deliberately selecting the combination of materials in heterostructures so that the desired physics emerges from interactions between the different components1,10-15. Here we use this designer approach to fabricate van der Waals heterostructures that combine a two-dimensional (2D) ferromagnet with a superconductor, and we observe 2D topological superconductivity in the system. We use molecular-beam epitaxy to grow 2D islands of ferromagnetic chromium tribromide16 on superconducting niobium diselenide. We then use low-temperature scanning tunnelling microscopy and spectroscopy to reveal the signatures of one-dimensional Majorana edge modes. The fabricated 2D van der Waals heterostructure provides a high-quality, tunable system that can be readily integrated into device structures that use topological superconductivity. The layered heterostructures can be readily accessed by various external stimuli, potentially allowing external control of 2D topological superconductivity through electrical17, mechanical18, chemical19 or optical means20.

2.
Nano Lett ; 24(35): 10842-10849, 2024 Sep 04.
Artigo em Inglês | MEDLINE | ID: mdl-39183640

RESUMO

Hydration at solid-liquid interfaces plays an essential role in a wide range of phenomena in biology and in materials and Earth sciences. However, the atomic-scale dynamics of hydration have remained elusive because of difficulties associated with their direct visualization. In this work, a high-speed three-dimensional (3D) scanning force microscopy technique that produces 3D images of solid-liquid interfaces with subnanoscale resolution at a rate of 1.6 s per 3D image was developed. Using this technique, direct 3D images of moving step edges were acquired during calcite dissolution in water, and hydration structures on transition regions were visualized. A Ca(OH)2 monolayer was found to form along the step edge as an intermediate state during dissolution. This imaging process also showed that hydration layers extended from the upper terraces to the transition regions to stabilize adsorbed Ca(OH)2. This technique provides information that cannot be obtained via conventional 1D/2D measurement methods.

3.
Phys Chem Chem Phys ; 2024 Sep 13.
Artigo em Inglês | MEDLINE | ID: mdl-39268803

RESUMO

Correction for 'Water adsorption lifts the (2 × 1) reconstruction of calcite(104)' by Jonas Heggemann et al., Phys. Chem. Chem. Phys., 2024, 26, 21365-21369, https://doi.org/10.1039/D3CP01408H.

4.
Angew Chem Int Ed Engl ; : e202411893, 2024 Jul 22.
Artigo em Inglês | MEDLINE | ID: mdl-39039830

RESUMO

Triangulenes as neutral radicals are becoming promising candidates for future applications such as spintronics and quantum technologies. To extend the potential of the advanced materials, it is of importance to control their electronic and magnetic properties by multiple graphitic nitrogen doping. Here, we synthesize triaza[5]triangulene on Au(111) by cyclodehydrogenation, and its derivatives by cleaving C-N bonds. Bond-resolved scanning tunneling microscopy and scanning tunneling spectroscopy provided detailed structural information and evidence for open-shell singlet ground state. The antiferromagnetic arrangement of the spins in positively doped triaza[5]triangulene was further confirmed by density function theory calculations. The key aspect of triangulenes with multiple graphitic nitrogen is the extra pz electrons composing the π orbitals, favoring charge transfer to the substrate and changing their low-energy excitations. Our findings pave the way for the exploration of exotic low-dimensional quantum phases of matter in heteroatom doped organic systems.

5.
Angew Chem Int Ed Engl ; 63(18): e202401027, 2024 Apr 24.
Artigo em Inglês | MEDLINE | ID: mdl-38415373

RESUMO

The incorporation of Si atoms into organic compounds significantly increases a variety of functionality, facilitating further applications. Recently, on-surface synthesis was introduced into organosilicon chemistry as 1,4-disilabenzene bridged nanostructures were obtained via coupling between silicon atoms and brominated phenyl groups at the ortho position on Au(111). Here, we demonstrate a high generality of this strategy via syntheses of silole derivatives and nanoribbon structures with eight-membered sila-cyclic rings from dibrominated molecules at the bay and peri positions on Au(111), respectively. Their structures and electronic properties were investigated by a combination of scanning tunneling microscopy/spectroscopy and density functional theory calculations. This work demonstrates a great potential to deal with heavy group 14 elements in on-surface silicon chemistry.

6.
Phys Chem Chem Phys ; 2023 Jul 19.
Artigo em Inglês | MEDLINE | ID: mdl-37466286

RESUMO

The adsorption of water on calcite(104) is investigated in ultra-high vacuum by density functional theory (DFT) and non-contact atomic force microscopy (NC-AFM) in the coverage regime of up to one monolayer (ML). DFT calculations reveal a clear preference for water to adsorb on the bulk-like carbonate group rows of the (2 × 1) reconstructed surface. Additionally, an apparent water attraction due to carbonate group reorientation suggest island formation for water adsorbed on the reconstructed carbonate group rows. Experimentally, water is found to exclusively occupy specific positions within the (2 × 1) unit cell up to 0.5 ML, to form islands at coverage between 0.5 and 1 ML, and to express a (1 × 1) structure at coverage of a full monolayer.

7.
J Am Chem Soc ; 144(44): 20227-20231, 2022 11 09.
Artigo em Inglês | MEDLINE | ID: mdl-36301687

RESUMO

The existence of water dimers in equilibrium water vapor at room temperature and their anomalous properties revealed by recent studies suggest the benchmark role of water dimers in both experiment and theory. However, there has been a limited observation of individual water dimers due to the challenge of water separation and generation at the single-molecule level. Here, we achieve real-space imaging of individual confined water dimers embedded inside a self-assembled layer of a DNA base, adenine, on Ag(111). The hydration of the adenine layers by these water dimers causes a local surface chiral inversion in such a way that the neighboring homochiral adenine molecules become heterochiral after hydration, resulting in a mismatched hydrogen-bond pattern between neighboring adenine molecules. Furthermore, the mutual influence between the adenine superstructure and these dynamic confined water dimers is corroborated by theoretical simulation and calculations. The observation of single confined water dimers offers an unprecedented approach to studying the fundamental forms of water clusters and their interaction with the local chemical environment.


Assuntos
Adenina , DNA , Ligação de Hidrogênio , Dimerização , DNA/química , Adenina/química , Polímeros
8.
Can J Microbiol ; 68(7): 465-482, 2022 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-35344680

RESUMO

Soil fungal and bacterial communities play various roles in agroecosystems and are significantly influenced by agricultural management practices. Currently, little is known about the effects of selected cover crops on soil fungal and bacterial communities in no-till systems. In this study, eight cover crops, three mixed crops, and an unmanaged fallow control were evaluated over 2 years for their effects on the soil microbiome. Internal transcribed spacer (ITS) and 16S rRNA amplicon sequencing was performed to characterize fungal and bacterial communities in the soil during the cover crop growing season, and in the subsequent year. Fungal and bacterial alpha diversity significantly increased over time and were influenced in the subsequent growing season by choice of cover crops. Some fungal and bacterial trophic and functional groups were also affected by crop choice. Fungal pathotroph abundance was positively associated with oilseed radish, alfalfa, and phacelia, but negatively associated with sorghum-sudangrass. Beneficial symbiotrophic fungi and functional nitrification-related bacterial groups were also associated with sorghum-sudangrass and buckwheat. These findings suggest that choice of cover crops influences the soil microbial community composition and may impact plant health in the subsequent crops.


Assuntos
Microbiologia do Solo , Solo , Bactérias/genética , Produtos Agrícolas/microbiologia , Ilha do Príncipe Eduardo , RNA Ribossômico 16S/genética , Solo/química
9.
Nanotechnology ; 32(3): 035706, 2021 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-33052141

RESUMO

We have revealed processes of the tip apex distortion in the measurements of non-contact scanning force microscopy. High-spatial-resolution two-dimensional force mapping on KCl(100) surfaces for a large number of tips, seven tips, enabled us to see the complex behavior of the tip apex distortion. The tips are from Si without additional coating, but are altered by the tip-sample interaction and show the behavior of different atomic species. On the KCl(001) surfaces, the tip apex, consisting of K and Cl atoms or of Si, distorted several times while changing the distance even in a weak attractive region. There are variations in rigidity of the tip apex, but all tips distorted in the small attractive region. This complex behavior was categorized in patterns by our analyses. We compare the experimental force-distance data to atomistic simulations using rigid KCl-terminated tips and KCl-terminated tips with an additional KCl-pair designed to perform atomic jumps. We also compare the experimental force-distance data to first principles simulations using Si tips. We mainly find K-terminated tips and Si-terminated tips. We find that Si tips show only one force minimum whereas KCl-terminated tips show two force minima in line with the stronger rigidity of Si compared to KCl. At room temperature, the tip apex atoms can perform atomic jumps that change the atomic configuration of the tip apex.

10.
J Am Chem Soc ; 142(26): 11363-11369, 2020 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-32413264

RESUMO

Heterocyclic [8]circulenes are an important class of polycyclic aromatic hydrocarbon molecules because of their unique structural properties and promising applications. However, the synthesis of heterocyclic [8]circulenes is still limited and thus is an important synthetic challenge. Here we describe the first example of a π-extended diaza[8]circulene surrounded by and fused with six hexagons and two pentagons, which was successfully synthesized only by a combined in-solution and on-surface synthetic strategy. State-of-the-art scanning tunneling microscopy with a CO-functionalized tip and density functional theory calculations revealed its planar conformation and unique electronic structure.

11.
Theor Appl Genet ; 133(10): 2775-2796, 2020 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-32556394

RESUMO

KEY MESSAGE: QTL analyses of two bi-parental mapping populations with AC Barrie as a parent revealed numerous FHB-resistance QTL unique to each population and uncovered novel variation near Fhb1. Fusarium head blight (FHB) is a destructive disease of wheat worldwide, leading to severe yield and quality losses. The genetic basis of native FHB resistance was examined in two populations: a recombinant inbred line population from the cross Cutler/AC Barrie and a doubled haploid (DH) population from the cross AC Barrie/Reeder. Numerous QTL were detected among the two mapping populations with many being cross-specific. Photoperiod insensitivity at Ppd-D1 and dwarfing at Rht-B1 and Rht-D1 was associated with increased FHB susceptibility. Anthesis date QTL at or near the Vrn-A1 and Vrn-B1 loci co-located with major FHB-resistance QTL in the AC Barrie/Reeder population. The loci were epistatic for both traits, such that DH lines with both late alleles were considerably later to anthesis and had reduced FHB symptoms (i.e., responsible for the epistatic interaction). Interestingly, AC Barrie contributed FHB resistance near the Fhb1 locus in the Cutler population and susceptibility in the Reeder population. Analyses of the Fhb1 candidate genes PFT and TaHRC confirmed that AC Barrie, Cutler, and Reeder do not carry the Sumai-3 Fhb1 gene. Resistance QTL were also detected at the expected locations of Fhb2 and Fhb5. The native FHB-resistance QTL detected near Fhb1, Fhb2, and Fhb5 do not appear to be as effective as Fhb1, Fhb2, and Fhb5 from Sumai-3. The presence of awns segregated at the B1 awn inhibitor locus in both populations, but was only associated with FHB resistance in the Cutler/AC Barrie population suggesting linkage caused the association rather than pleiotropy.


Assuntos
Resistência à Doença/genética , Doenças das Plantas/genética , Locos de Características Quantitativas , Triticum/genética , Alelos , Mapeamento Cromossômico , Fusarium/patogenicidade , Genes de Plantas , Genótipo , Fenótipo , Doenças das Plantas/microbiologia , Triticum/microbiologia
12.
Phys Chem Chem Phys ; 22(11): 6109-6114, 2020 Mar 21.
Artigo em Inglês | MEDLINE | ID: mdl-32031553

RESUMO

On-surface synthesis provides a very promising strategy for creating stable functional structures on surfaces. In the past, classical reactions known from solution synthesis have been successfully transferred onto a surface. Due to the presence of the surface, on-surface synthesis provides the potential of directing the reaction pathway in a manner that might not be accessible in classical solution synthesis. In this work, we present evidence for an acetylene polymerization from a terminal alkyne monomer deposited onto calcite (10.4). Strikingly, although the dimer forms on the surface as well, we find no indication for diacetylene polymerization. This is in sharp contrast to what is observed when directly depositing the dimers on the surface. The different pathways are linked to the specific arrangement of the dimers on the surface. When forming stripes along the [-4-21] direction, the diacetylene polymerization is prohibited, while when arranged in stripes aligned along the [010] direction, the dimers can undergo diacetylene polymerization. Our work thus constitutes a demonstration for controlling the specific reaction pathway in on-surface synthesis by the presence of the surface.

13.
J Exp Biol ; 222(Pt 16)2019 08 16.
Artigo em Inglês | MEDLINE | ID: mdl-31350298

RESUMO

Juvenile animals must survive in the same environment as adults despite smaller sizes, immature musculoskeletal tissues, general ecological naïveté and other limits of performance. Developmental changes in muscle leverage could constitute one mechanism to promote increased performance in juveniles despite ontogenetic limitations. We tested this hypothesis using a holistic dataset on growth and locomotor development in wild eastern cottontail rabbits (Sylvilagus floridanus) to examine ontogenetic changes in hindlimb muscle effective mechanical advantage (EMA). EMA is a dimensionless index of muscle leverage, equal to the quotient of average muscle lever length and the load arm length of the ground reaction force (GRF), effectively representing the magnitude of output force arising from a given muscle force. We found that EMA at the hip and ankle joints, as well as overall hindlimb EMA, significantly declined across ontogeny in S. floridanus, whereas EMA at the knee joint remained unchanged. Ontogenetic decreases in EMA were due to isometric scaling of muscle lever arm lengths alongside positive ontogenetic allometry of GRF load arm lengths - which in turn was primarily related to positive allometry of hindlimb segment lengths. Greater EMA limits the estimated volume of hindlimb extensor muscle that has to be activated in young rabbits, likely mitigating the energetic cost of locomotion and saving metabolic resources for other physiological functions, such as growth and tissue differentiation. An additional examination of limb growth allometry across a diverse sample of mammalian taxa suggests that ontogenetic decreases in limb joint EMA may be a common mammalian trend.


Assuntos
Lagomorpha/fisiologia , Locomoção , Animais , Fenômenos Biomecânicos , Lagomorpha/crescimento & desenvolvimento
14.
J Am Pharm Assoc (2003) ; 59(4S): S101-S105, 2019.
Artigo em Inglês | MEDLINE | ID: mdl-31080151

RESUMO

OBJECTIVES: To identify perceptions of decision-makers and staff at a local hospital about the pharmacist's role in transitions of care (TOC) programs. SETTING: Independent community pharmacy located inside a local community hospital. PRACTICE DESCRIPTION: Pharmacy personnel offer a bedside delivery service to hospital patients and have professional relationships with administration. PRACTICE INNOVATION: Pharmacy personnel intend to expand the bedside delivery service to a comprehensive TOC program. Researchers believed it would be important to gather the perceptions of pharmacist's role in TOC programs from nonpharmacist clinicians and administration to successfully develop the program. EVALUATION: This project would identify perceptions to help develop a TOC program. METHODS: A 22-question survey was developed after consulting with key staff and informed by literature regarding TOC and pharmacists' roles in patient care services. Collected demographic information included primary department, number of years worked at the institution, and involvement in TOC. After an 8-week survey distribution period, descriptive statistics were performed on the data collected. RESULTS: A total of 13 decision-makers and staff responded to the survey with a response rate of 87%. Eleven of 12 respondents (92%) thought that pharmacists should be involved in TOC and can be the communication link between patients and other health care providers to ensure continuity of care. All of the participants thought that pharmacists should provide medication reconciliation and patient and caregiver education through TOC services. The participants were less likely to think that pharmacists should offer follow-up care after discharge. CONCLUSION: Participants agreed that pharmacists should be involved in TOC services but had varied perceptions on the pharmacist's specific role. Decision-maker and staff perceptions identified in this study will be used to develop the pharmacist's role in a TOC program at the institution.


Assuntos
Transferência de Pacientes/estatística & dados numéricos , Farmacêuticos/psicologia , Farmacêuticos/estatística & dados numéricos , Papel Profissional/psicologia , Atitude do Pessoal de Saúde , Comunicação , Serviços Comunitários de Farmácia/estatística & dados numéricos , Tomada de Decisões , Humanos , Reconciliação de Medicamentos/estatística & dados numéricos , Assistência ao Paciente/psicologia , Assistência ao Paciente/estatística & dados numéricos , Alta do Paciente/estatística & dados numéricos , Farmácias/estatística & dados numéricos , Serviço de Farmácia Hospitalar/estatística & dados numéricos , Encaminhamento e Consulta/estatística & dados numéricos , Inquéritos e Questionários/estatística & dados numéricos
15.
Nano Lett ; 18(9): 5596-5602, 2018 09 12.
Artigo em Inglês | MEDLINE | ID: mdl-30134111

RESUMO

Two-dimensional (2D) metal-organic frameworks (MOFs) have been recently proposed as a flexible material platform for realizing exotic quantum phases including topological and anomalous quantum Hall insulators. Experimentally, direct synthesis of 2D MOFs has been essentially confined to metal substrates, where the strong interaction with the substrate masks the intrinsic electronic properties of the MOF. In addition to electronic decoupling from the underlying metal support, synthesis on weakly interacting substrates (e.g., graphene) would enable direct realization of heterostructures of 2D MOFs with inorganic 2D materials. Here, we demonstrate synthesis of 2D honeycomb MOFs on epitaxial graphene substrate. Using low-temperature scanning tunneling microscopy (STM) and atomic force microscopy (AFM) complemented by density-functional theory (DFT) calculations, we show the formation of a 2D band structure in the MOF decoupled from the substrate. These results open the experimental path toward MOF-based designer electronic materials with complex, engineered electronic structures.

16.
Artigo em Inglês | MEDLINE | ID: mdl-32020916

RESUMO

To search for giant X-ray pulses correlated with the giant radio pulses (GRPs) from the Crab pulsar, we performed a simultaneous observation of the Crab pulsar with the X-ray satellite Hitomi in the 2 - 300 keV band and the Kashima NICT radio observatory in the 1.4 - 1.7 GHz band with a net exposure of about 2 ks on 25 March 2016, just before the loss of the Hitomi mission. The timing performance of the Hitomi instruments was confirmed to meet the timing requirement and about 1,000 and 100 GRPs were simultaneously observed at the main and inter-pulse phases, respectively, and we found no apparent correlation between the giant radio pulses and the X-ray emission in either the main or inter-pulse phases. All variations are within the 2 sigma fluctuations of the X-ray fluxes at the pulse peaks, and the 3 sigma upper limits of variations of main- or inter-pulse GRPs are 22% or 80% of the peak flux in a 0.20 phase width, respectively, in the 2 - 300 keV band. The values become 25% or 110% for main or inter-pulse GRPs, respectively, when the phase width is restricted into the 0.03 phase. Among the upper limits from the Hitomi satellite, those in the 4.5-10 keV and the 70-300 keV are obtained for the first time, and those in other bands are consistent with previous reports. Numerically, the upper limits of main- and inter-pulse GRPs in the 0.20 phase width are about (2.4 and 9.3) ×10-11 erg cm-2, respectively. No significant variability in pulse profiles implies that the GRPs originated from a local place within the magnetosphere and the number of photon-emitting particles temporally increases. However, the results do not statistically rule out variations correlated with the GRPs, because the possible X-ray enhancement may appear due to a > 0.02% brightening of the pulse-peak flux under such conditions.

17.
Proc Natl Acad Sci U S A ; 112(11): 3451-6, 2015 Mar 17.
Artigo em Inglês | MEDLINE | ID: mdl-25733908

RESUMO

Some of the most damaging tree pathogens can attack woody stems, causing lesions (cankers) that may be lethal. To identify the genomic determinants of wood colonization leading to canker formation, we sequenced the genomes of the poplar canker pathogen, Mycosphaerella populorum, and the closely related poplar leaf pathogen, M. populicola. A secondary metabolite cluster unique to M. populorum is fully activated following induction by poplar wood and leaves. In addition, genes encoding hemicellulose-degrading enzymes, peptidases, and metabolite transporters were more abundant and were up-regulated in M. populorum growing on poplar wood-chip medium compared with M. populicola. The secondary gene cluster and several of the carbohydrate degradation genes have the signature of horizontal transfer from ascomycete fungi associated with wood decay and from prokaryotes. Acquisition and maintenance of the gene battery necessary for growth in woody tissues and gene dosage resulting in gene expression reconfiguration appear to be responsible for the adaptation of M. populorum to infect, colonize, and cause mortality on poplar woody stems.


Assuntos
Adaptação Fisiológica/genética , Ascomicetos/crescimento & desenvolvimento , Ascomicetos/genética , Dosagem de Genes , Transferência Genética Horizontal , Árvores/microbiologia , Madeira/microbiologia , Ascomicetos/patogenicidade , Sequência de Bases , Contagem de Colônia Microbiana , Regulação Fúngica da Expressão Gênica , Especiação Genética , Genoma Fúngico/genética , Interações Hospedeiro-Patógeno/genética , Alcaloides Indólicos/metabolismo , Dados de Sequência Molecular , Nitrogênio/metabolismo , Filogenia , Populus/microbiologia , Proteólise , Sintenia/genética , Fatores de Tempo
18.
Nano Lett ; 17(7): 4083-4089, 2017 07 12.
Artigo em Inglês | MEDLINE | ID: mdl-28650174

RESUMO

The microscopic understanding of the crystal growth and dissolution processes have been greatly advanced by the direct imaging of nanoscale step flows by atomic force microscopy (AFM), optical interferometry, and X-ray microscopy. However, one of the most fundamental events that govern their kinetics, namely, atomistic events at the step edges, have not been well understood. In this study, we have developed high-speed frequency modulation AFM (FM-AFM) and enabled true atomic-resolution imaging in liquid at ∼1 s/frame, which is ∼50 times faster than the conventional FM-AFM. With the developed AFM, we have directly imaged subnanometer-scale surface structures around the moving step edges of calcite during its dissolution in water. The obtained images reveal that the transition region with typical width of a few nanometers is formed along the step edges. Building upon insight in previous studies, our simulations suggest that the transition region is most likely to be a Ca(OH)2 monolayer formed as an intermediate state in the dissolution process. On the basis of this finding, we improve our understanding of the atomistic dissolution model of calcite in water. These results open up a wide range of future applications of the high-speed FM-AFM to the studies on various dynamic processes at solid-liquid interfaces with true atomic resolution.

19.
Langmuir ; 33(1): 125-129, 2017 01 10.
Artigo em Inglês | MEDLINE | ID: mdl-27960056

RESUMO

Solid-liquid interfaces are decisive for a wide range of natural and technological processes, including fields as diverse as geochemistry and environmental science as well as catalysis and corrosion protection. Dynamic atomic force microscopy nowadays provides unparalleled structural insights into solid-liquid interfaces, including the solvation structure above the surface. In contrast, chemical identification of individual interfacial atoms still remains a considerable challenge. So far, an identification of chemically alike atoms in a surface alloy has only been demonstrated under well-controlled ultrahigh vacuum conditions. In liquids, the recent advent of three-dimensional force mapping has opened the potential to discriminate between anionic and cationic surface species. However, a full chemical identification will also include the far more challenging situation of alike interfacial atoms (i.e., with the same net charge). Here we demonstrate the chemical identification capabilities of dynamic atomic force microscopy at solid-liquid interfaces by identifying Ca and Mg cations at the dolomite-water interface. Analyzing site-specific vertical positions of hydration layers and comparing them with molecular dynamics simulations unambiguously unravels the minute but decisive difference in ion hydration and provides a clear means for telling calcium and magnesium ions apart. Our work, thus, demonstrates the chemical identification capabilities of dynamic AFM at the solid-liquid interface.

20.
Nanotechnology ; 27(41): 415709, 2016 Oct 14.
Artigo em Inglês | MEDLINE | ID: mdl-27609045

RESUMO

Frequency modulation atomic force microscopy (FM-AFM) experiments were performed on the calcite (10[Formula: see text]4) surface in pure water, and a detailed analysis was made of the 2D images at a variety of frequency setpoints. We observed eight different contrast patterns that reproducibly appeared in different experiments and with different measurement parameters. We then performed systematic free energy calculations of the same system using atomistic molecular dynamics to obtain an effective force field for the tip-surface interaction. By using this force field in a virtual AFM simulation we found that each experimental contrast could be reproduced in our simulations by changing the setpoint, regardless of the experimental parameters. This approach offers a generic method for understanding the wide variety of contrast patterns seen on the calcite surface in water, and is generally applicable to AFM imaging in liquids.

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